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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.89
Van der Waals volume 435.77
Polar Surface Area 103.68
Van der Waals Surface Area 697.46
Refractivity 129.42

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ELEMENTAL PROPERTIESExact Mass 492.178
Isotope Formula C28H28O8
Dot Disconnected Formula C28H28O8
Dot Disconnected Isotope Formula C28H28O8
Composition C (68.28%), H (5.73%), O (25.99%)
Isotope Composition C (68.28%), H (5.73%), O (25.99%)
Donor Sites 2
Donor Count 2
Acceptor Sites 8
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count64
Aliphatic Atom Count 18
Aliphatic Bond Count 22
Aromatic Bond Count 18
Asymmetric Atom Count 5
Bond Count 68
Chain Atom Count 12
Chain Bond Count 14
Chiral Center Count 5
Ring Atom Count 24
Ring Bond Count 26
Rotatable Bond Count 7
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 3
Carbo Ring Count 4
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 3
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 1

 






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