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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 8
Van der Waals volume 392.28
Polar Surface Area 66.76
Van der Waals Surface Area 664.19
Refractivity 111.72

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ELEMENTAL PROPERTIESExact Mass 376.261
Isotope Formula C23H36O4
Dot Disconnected Formula C23H36O4
Dot Disconnected Isotope Formula C23H36O4
Composition C (73.37%), H (9.64%), O (17%)
Isotope Composition C (73.37%), H (9.64%), O (17%)
Donor Sites 2
Donor Count 2
Acceptor Sites 4
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count63
Aliphatic Atom Count 21
Aliphatic Bond Count 21
Aromatic Bond Count 6
Asymmetric Atom Count 0
Bond Count 63
Chain Atom Count 21
Chain Bond Count 21
Chiral Center Count 0
Ring Atom Count 6
Ring Bond Count 6
Rotatable Bond Count 15
Stereo Double Bond Count 1
Aliphatic Ring Count 0
Aromatic Ring Count 1
Carbo Ring Count 1
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 1
Smallest Ring Size 6
Smallest Ring System Size 1

 






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