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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.07
Van der Waals volume 368.02
Polar Surface Area 66.76
Van der Waals Surface Area 597.27
Refractivity 103.64

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ELEMENTAL PROPERTIESExact Mass 374.246
Isotope Formula C23H34O4
Dot Disconnected Formula C23H34O4
Dot Disconnected Isotope Formula C23H34O4
Composition C (73.76%), H (9.15%), O (17.09%)
Isotope Composition C (73.76%), H (9.15%), O (17.09%)
Donor Sites 2
Donor Count 2
Acceptor Sites 4
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count61
Aliphatic Atom Count 27
Aliphatic Bond Count 31
Aromatic Bond Count 0
Asymmetric Atom Count 8
Bond Count 65
Chain Atom Count 5
Chain Bond Count 6
Chiral Center Count 8
Ring Atom Count 22
Ring Bond Count 25
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 1

 






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