NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
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CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.14
Van der Waals volume 484.65
Polar Surface Area 111.24
Van der Waals Surface Area 788.53
Refractivity 132.34

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ELEMENTAL PROPERTIESExact Mass 491.325
Isotope Formula C28H45NO6
Dot Disconnected Formula C28H45NO6
Dot Disconnected Isotope Formula C28H45NO6
Composition C (68.4%), H (9.23%), N (2.85%), O (19.52%)
Isotope Composition C (68.4%), H (9.23%), N (2.85%), O (19.52%)
Donor Sites 4
Donor Count 3
Acceptor Sites 8
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count80
Aliphatic Atom Count 35
Aliphatic Bond Count 39
Aromatic Bond Count 0
Asymmetric Atom Count 12
Bond Count 84
Chain Atom Count 12
Chain Bond Count 13
Chiral Center Count 12
Ring Atom Count 23
Ring Bond Count 26
Rotatable Bond Count 4
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 1

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.