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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 7.91
Van der Waals volume 434.99
Polar Surface Area 73.83
Van der Waals Surface Area 694.95
Refractivity 138.14

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ELEMENTAL PROPERTIESExact Mass 446.246
Isotope Formula C29H34O4
Dot Disconnected Formula C29H34O4
Dot Disconnected Isotope Formula C29H34O4
Composition C (78%), H (7.67%), O (14.33%)
Isotope Composition C (78%), H (7.67%), O (14.33%)
Donor Sites 3
Donor Count 3
Acceptor Sites 3
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count67
Aliphatic Atom Count 18
Aliphatic Bond Count 19
Aromatic Bond Count 16
Asymmetric Atom Count 0
Bond Count 69
Chain Atom Count 18
Chain Bond Count 19
Chiral Center Count 0
Ring Atom Count 15
Ring Bond Count 16
Rotatable Bond Count 8
Stereo Double Bond Count 1
Aliphatic Ring Count 0
Aromatic Ring Count 3
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 1

 






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