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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 6.82
Van der Waals volume 595.61
Polar Surface Area 116.45
Van der Waals Surface Area 1011.93
Refractivity 160.14

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ELEMENTAL PROPERTIESExact Mass 568.434
Isotope Formula C33H60O7
Dot Disconnected Formula C33H60O7
Dot Disconnected Isotope Formula C33H60O7
Composition C (69.68%), H (10.63%), O (19.69%)
Isotope Composition C (69.68%), H (10.63%), O (19.69%)
Donor Sites 4
Donor Count 4
Acceptor Sites 7
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count100
Aliphatic Atom Count 40
Aliphatic Bond Count 41
Aromatic Bond Count 0
Asymmetric Atom Count 7
Bond Count 101
Chain Atom Count 30
Chain Bond Count 31
Chiral Center Count 7
Ring Atom Count 10
Ring Bond Count 10
Rotatable Bond Count 24
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 0
Carbo Ring Count 0
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 5
Largest Ring System Size 1
Ring Count 2
Smallest Ring Size 5
Smallest Ring System Size 1

 






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