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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.24
Van der Waals volume 558.2
Polar Surface Area 221.52
Van der Waals Surface Area 868.87
Refractivity 157.49

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ELEMENTAL PROPERTIESExact Mass 674.185
Isotope Formula C32H34O16
Dot Disconnected Formula C32H34O16
Dot Disconnected Isotope Formula C32H34O16
Composition C (56.97%), H (5.08%), O (37.95%)
Isotope Composition C (56.97%), H (5.08%), O (37.95%)
Donor Sites 6
Donor Count 6
Acceptor Sites 16
Acceptor Count 15


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TOPOLOGICAL PROPERTIESAtom Count82
Aliphatic Atom Count 32
Aliphatic Bond Count 37
Aromatic Bond Count 17
Asymmetric Atom Count 9
Bond Count 88
Chain Atom Count 14
Chain Bond Count 17
Chiral Center Count 9
Ring Atom Count 34
Ring Bond Count 37
Rotatable Bond Count 8
Stereo Double Bond Count 0
Aliphatic Ring Count 4
Aromatic Ring Count 3
Carbo Ring Count 3
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 3
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 5
Hetero Ring Count 4
Heteroaliphatic Ring Count 4
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 7
Smallest Ring Size 5
Smallest Ring System Size 1

 






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