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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 6.45
Van der Waals volume 525.6
Polar Surface Area 125.68
Van der Waals Surface Area 817.68
Refractivity 161.4

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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 4
Donor Count 4
Acceptor Sites 9
Acceptor Count 8


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TOPOLOGICAL PROPERTIESAtom Count77
Aliphatic Atom Count 19
Aliphatic Bond Count 24
Aromatic Bond Count 24
Asymmetric Atom Count 4
Bond Count 82
Chain Atom Count 9
Chain Bond Count 13
Chiral Center Count 4
Ring Atom Count 34
Ring Bond Count 35
Rotatable Bond Count 7
Stereo Double Bond Count 0
Aliphatic Ring Count 2
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 2
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 6
Smallest Ring Size 6
Smallest Ring System Size 1

 






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