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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.53
Van der Waals volume 506.92
Polar Surface Area 80.92
Van der Waals Surface Area 849.53
Refractivity 138.52

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ELEMENTAL PROPERTIESExact Mass 476.387
Isotope Formula C30H52O4
Dot Disconnected Formula C30H52O4
Dot Disconnected Isotope Formula C30H52O4
Composition C (75.58%), H (10.99%), O (13.42%)
Isotope Composition C (75.58%), H (10.99%), O (13.42%)
Donor Sites 4
Donor Count 4
Acceptor Sites 4
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count86
Aliphatic Atom Count 34
Aliphatic Bond Count 37
Aromatic Bond Count 0
Asymmetric Atom Count 10
Bond Count 89
Chain Atom Count 17
Chain Bond Count 17
Chiral Center Count 10
Ring Atom Count 17
Ring Bond Count 20
Rotatable Bond Count 5
Stereo Double Bond Count 0
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.