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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.8
Van der Waals volume 256.8
Polar Surface Area 57.53
Van der Waals Surface Area 420.47
Refractivity 70

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ELEMENTAL PROPERTIESExact Mass 252.173
Isotope Formula C15H24O3
Dot Disconnected Formula C15H24O3
Dot Disconnected Isotope Formula C15H24O3
Composition C (71.39%), H (9.59%), O (19.02%)
Isotope Composition C (71.39%), H (9.59%), O (19.02%)
Donor Sites 2
Donor Count 2
Acceptor Sites 4
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count42
Aliphatic Atom Count 18
Aliphatic Bond Count 19
Aromatic Bond Count 0
Asymmetric Atom Count 4
Bond Count 43
Chain Atom Count 8
Chain Bond Count 8
Chiral Center Count 4
Ring Atom Count 10
Ring Bond Count 11
Rotatable Bond Count 2
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 0
Carbo Ring Count 2
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 2
Smallest Ring Size 6
Smallest Ring System Size 2

 






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