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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.89
Van der Waals volume 454.49
Polar Surface Area 136.43
Van der Waals Surface Area 711.92
Refractivity 126.64

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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 10
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count70
Aliphatic Atom Count 36
Aliphatic Bond Count 40
Aromatic Bond Count 0
Asymmetric Atom Count 10
Bond Count 74
Chain Atom Count 14
Chain Bond Count 15
Chiral Center Count 10
Ring Atom Count 22
Ring Bond Count 25
Rotatable Bond Count 4
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 0
Carbo Ring Count 3
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 1

 






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