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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.96
Van der Waals volume 356.61
Polar Surface Area 86.99
Van der Waals Surface Area 574
Refractivity 100.63

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ELEMENTAL PROPERTIESExact Mass 364.225
Isotope Formula C21H32O5
Dot Disconnected Formula C21H32O5
Dot Disconnected Isotope Formula C21H32O5
Composition C (69.2%), H (8.85%), O (21.95%)
Isotope Composition C (69.2%), H (8.85%), O (21.95%)
Donor Sites 3
Donor Count 3
Acceptor Sites 6
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count58
Aliphatic Atom Count 26
Aliphatic Bond Count 28
Aromatic Bond Count 0
Asymmetric Atom Count 5
Bond Count 60
Chain Atom Count 13
Chain Bond Count 13
Chiral Center Count 5
Ring Atom Count 13
Ring Bond Count 15
Rotatable Bond Count 3
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.