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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 6.88
Van der Waals volume 518.27
Polar Surface Area 46.53
Van der Waals Surface Area 863.9
Refractivity 145.64

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ELEMENTAL PROPERTIESExact Mass 484.392
Isotope Formula C32H52O3
Dot Disconnected Formula C32H52O3
Dot Disconnected Isotope Formula C32H52O3
Composition C (79.29%), H (10.81%), O (9.9%)
Isotope Composition C (79.29%), H (10.81%), O (9.9%)
Donor Sites 1
Donor Count 1
Acceptor Sites 3
Acceptor Count 2


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TOPOLOGICAL PROPERTIESAtom Count87
Aliphatic Atom Count 35
Aliphatic Bond Count 38
Aromatic Bond Count 0
Asymmetric Atom Count 7
Bond Count 90
Chain Atom Count 18
Chain Bond Count 18
Chiral Center Count 7
Ring Atom Count 17
Ring Bond Count 20
Rotatable Bond Count 6
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.