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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.28
Van der Waals volume 442.64
Polar Surface Area 128.59
Van der Waals Surface Area 696.18
Refractivity 120.42

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ELEMENTAL PROPERTIESExact Mass 502.22
Isotope Formula C27H34O9
Dot Disconnected Formula C27H34O9
Dot Disconnected Isotope Formula C27H34O9
Composition C (64.53%), H (6.82%), O (28.65%)
Isotope Composition C (64.53%), H (6.82%), O (28.65%)
Donor Sites 2
Donor Count 2
Acceptor Sites 11
Acceptor Count 8


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TOPOLOGICAL PROPERTIESAtom Count70
Aliphatic Atom Count 36
Aliphatic Bond Count 43
Aromatic Bond Count 0
Asymmetric Atom Count 16
Bond Count 77
Chain Atom Count 9
Chain Bond Count 10
Chiral Center Count 16
Ring Atom Count 27
Ring Bond Count 33
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 8
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 7
Fused Aromatic Ring Count 0
Fused Ring Count 7
Hetero Ring Count 4
Heteroaliphatic Ring Count 4
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 7
Ring Count 8
Smallest Ring Size 5
Smallest Ring System Size 1

 






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