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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.97
Van der Waals volume 544.98
Polar Surface Area 148.96
Van der Waals Surface Area 869.26
Refractivity 147.7

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ELEMENTAL PROPERTIESExact Mass 588.293
Isotope Formula C32H44O10
Dot Disconnected Formula C32H44O10
Dot Disconnected Isotope Formula C32H44O10
Composition C (65.29%), H (7.53%), O (27.18%)
Isotope Composition C (65.29%), H (7.53%), O (27.18%)
Donor Sites 2
Donor Count 2
Acceptor Sites 11
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count86
Aliphatic Atom Count 42
Aliphatic Bond Count 47
Aromatic Bond Count 0
Asymmetric Atom Count 14
Bond Count 91
Chain Atom Count 18
Chain Bond Count 19
Chiral Center Count 14
Ring Atom Count 24
Ring Bond Count 28
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 6
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 6
Smallest Ring Size 3
Smallest Ring System Size 1

 






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