NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.85
Van der Waals volume 552.07
Polar Surface Area 158.43
Van der Waals Surface Area 886.88
Refractivity 152.82

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ELEMENTAL PROPERTIESExact Mass 574.314
Isotope Formula C32H46O9
Dot Disconnected Formula C32H46O9
Dot Disconnected Isotope Formula C32H46O9
Composition C (66.88%), H (8.07%), O (25.06%)
Isotope Composition C (66.88%), H (8.07%), O (25.06%)
Donor Sites 4
Donor Count 4
Acceptor Sites 12
Acceptor Count 8


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TOPOLOGICAL PROPERTIESAtom Count87
Aliphatic Atom Count 41
Aliphatic Bond Count 44
Aromatic Bond Count 0
Asymmetric Atom Count 9
Bond Count 90
Chain Atom Count 24
Chain Bond Count 24
Chiral Center Count 9
Ring Atom Count 17
Ring Bond Count 20
Rotatable Bond Count 7
Stereo Double Bond Count 1
Aliphatic Ring Count 4
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 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 4

 






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