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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.08
Van der Waals volume 319.86
Polar Surface Area 57.53
Van der Waals Surface Area 514.27
Refractivity 89.35

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ELEMENTAL PROPERTIESExact Mass 318.219
Isotope Formula C20H30O3
Dot Disconnected Formula C20H30O3
Dot Disconnected Isotope Formula C20H30O3
Composition C (75.43%), H (9.5%), O (15.07%)
Isotope Composition C (75.43%), H (9.5%), O (15.07%)
Donor Sites 2
Donor Count 2
Acceptor Sites 4
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count53
Aliphatic Atom Count 23
Aliphatic Bond Count 26
Aromatic Bond Count 0
Asymmetric Atom Count 7
Bond Count 56
Chain Atom Count 7
Chain Bond Count 7
Chiral Center Count 7
Ring Atom Count 16
Ring Bond Count 19
Rotatable Bond Count 0
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.