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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.88
Van der Waals volume 232.69
Polar Surface Area 0
Van der Waals Surface Area 380.52
Refractivity 71.55

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ELEMENTAL PROPERTIESExact Mass 204.188
Isotope Formula C15H24
Dot Disconnected Formula C15H24
Dot Disconnected Isotope Formula C15H24
Composition C (88.16%), H (11.84%)
Isotope Composition C (88.16%), H (11.84%)
Donor Sites 0
Donor Count 0
Acceptor Sites 0
Acceptor Count 0


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TOPOLOGICAL PROPERTIESAtom Count39
Aliphatic Atom Count 15
Aliphatic Bond Count 15
Aromatic Bond Count 0
Asymmetric Atom Count 0
Bond Count 39
Chain Atom Count 4
Chain Bond Count 4
Chiral Center Count 0
Ring Atom Count 11
Ring Bond Count 11
Rotatable Bond Count 0
Stereo Double Bond Count 3
Aliphatic Ring Count 1
Aromatic Ring Count 0
Carbo Ring Count 1
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 0
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 11
Largest Ring System Size 1
Ring Count 1
Smallest Ring Size 11
Smallest Ring System Size 1

 






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