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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 7.59
Van der Waals volume 525.77
Polar Surface Area 136.68
Van der Waals Surface Area 810.74
Refractivity 164.91

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ELEMENTAL PROPERTIESExact Mass 582.225
Isotope Formula C35H34O8
Dot Disconnected Formula C35H34O8
Dot Disconnected Isotope Formula C35H34O8
Composition C (72.15%), H (5.88%), O (21.97%)
Isotope Composition C (72.15%), H (5.88%), O (21.97%)
Donor Sites 5
Donor Count 5
Acceptor Sites 9
Acceptor Count 8


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TOPOLOGICAL PROPERTIESAtom Count77
Aliphatic Atom Count 19
Aliphatic Bond Count 23
Aromatic Bond Count 24
Asymmetric Atom Count 3
Bond Count 81
Chain Atom Count 13
Chain Bond Count 17
Chiral Center Count 3
Ring Atom Count 30
Ring Bond Count 30
Rotatable Bond Count 9
Stereo Double Bond Count 1
Aliphatic Ring Count 1
Aromatic Ring Count 4
Carbo Ring Count 4
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 4
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 5
Smallest Ring Size 6
Smallest Ring System Size 1

 






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