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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.52
Van der Waals volume 490.69
Polar Surface Area 77.76
Van der Waals Surface Area 808.89
Refractivity 134.99

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ELEMENTAL PROPERTIESExact Mass 472.355
Isotope Formula C30H48O4
Dot Disconnected Formula C30H48O4
Dot Disconnected Isotope Formula C30H48O4
Composition C (76.23%), H (10.24%), O (13.54%)
Isotope Composition C (76.23%), H (10.24%), O (13.54%)
Donor Sites 3
Donor Count 3
Acceptor Sites 5
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count82
Aliphatic Atom Count 34
Aliphatic Bond Count 38
Aromatic Bond Count 0
Asymmetric Atom Count 9
Bond Count 86
Chain Atom Count 12
Chain Bond Count 12
Chiral Center Count 9
Ring Atom Count 22
Ring Bond Count 26
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 0
Carbo Ring Count 5
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 5
Smallest Ring Size 6
Smallest Ring System Size 5

 






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