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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.09
Van der Waals volume 492.19
Polar Surface Area 190.67
Van der Waals Surface Area 765.45
Refractivity 135.21

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ELEMENTAL PROPERTIESExact Mass 566.2
Isotope Formula C27H34O13
Dot Disconnected Formula C27H34O13
Dot Disconnected Isotope Formula C27H34O13
Composition C (57.24%), H (6.05%), O (36.71%)
Isotope Composition C (57.24%), H (6.05%), O (36.71%)
Donor Sites 5
Donor Count 5
Acceptor Sites 13
Acceptor Count 11


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TOPOLOGICAL PROPERTIESAtom Count74
Aliphatic Atom Count 34
Aliphatic Bond Count 37
Aromatic Bond Count 6
Asymmetric Atom Count 9
Bond Count 77
Chain Atom Count 19
Chain Bond Count 21
Chiral Center Count 9
Ring Atom Count 21
Ring Bond Count 22
Rotatable Bond Count 10
Stereo Double Bond Count 1
Aliphatic Ring Count 3
Aromatic Ring Count 1
Carbo Ring Count 2
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 1

 






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