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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.4
Van der Waals volume 318.36
Polar Surface Area 54.37
Van der Waals Surface Area 497.51
Refractivity 89.76

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ELEMENTAL PROPERTIESExact Mass 316.204
Isotope Formula C20H28O3
Dot Disconnected Formula C20H28O3
Dot Disconnected Isotope Formula C20H28O3
Composition C (75.91%), H (8.92%), O (15.17%)
Isotope Composition C (75.91%), H (8.92%), O (15.17%)
Donor Sites 1
Donor Count 1
Acceptor Sites 5
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count51
Aliphatic Atom Count 23
Aliphatic Bond Count 25
Aromatic Bond Count 0
Asymmetric Atom Count 5
Bond Count 53
Chain Atom Count 11
Chain Bond Count 11
Chiral Center Count 5
Ring Atom Count 12
Ring Bond Count 14
Rotatable Bond Count 4
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 0
Carbo Ring Count 3
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 3

 






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