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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.91
Van der Waals volume 444.32
Polar Surface Area 110.13
Van der Waals Surface Area 709.35
Refractivity 127.5

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ELEMENTAL PROPERTIESExact Mass 472.246
Isotope Formula C27H36O7
Dot Disconnected Formula C27H36O7
Dot Disconnected Isotope Formula C27H36O7
Composition C (68.62%), H (7.68%), O (23.7%)
Isotope Composition C (68.62%), H (7.68%), O (23.7%)
Donor Sites 2
Donor Count 2
Acceptor Sites 8
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count70
Aliphatic Atom Count 34
Aliphatic Bond Count 37
Aromatic Bond Count 0
Asymmetric Atom Count 7
Bond Count 73
Chain Atom Count 19
Chain Bond Count 19
Chiral Center Count 7
Ring Atom Count 15
Ring Bond Count 18
Rotatable Bond Count 6
Stereo Double Bond Count 1
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 7
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 3
Smallest Ring System Size 4

 






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