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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.99
Van der Waals volume 507.63
Polar Surface Area 118.22
Van der Waals Surface Area 807.27
Refractivity 138.44

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ELEMENTAL PROPERTIESExact Mass 504.345
Isotope Formula C30H48O6
Dot Disconnected Formula C30H48O6
Dot Disconnected Isotope Formula C30H48O6
Composition C (71.39%), H (9.59%), O (19.02%)
Isotope Composition C (71.39%), H (9.59%), O (19.02%)
Donor Sites 5
Donor Count 5
Acceptor Sites 7
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count84
Aliphatic Atom Count 36
Aliphatic Bond Count 40
Aromatic Bond Count 0
Asymmetric Atom Count 12
Bond Count 88
Chain Atom Count 14
Chain Bond Count 14
Chiral Center Count 12
Ring Atom Count 22
Ring Bond Count 26
Rotatable Bond Count 2
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.