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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 7.75
Van der Waals volume 403.58
Polar Surface Area 36.92
Van der Waals Surface Area 659.25
Refractivity 136.37

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ELEMENTAL PROPERTIESExact Mass 390.277
Isotope Formula C24H38O4
Dot Disconnected Formula C24H38O4
Dot Disconnected Isotope Formula C24H38O4
Composition C (73.81%), H (9.81%), O (16.39%)
Isotope Composition C (73.81%), H (9.81%), O (16.39%)
Donor Sites 0
Donor Count 0
Acceptor Sites 4
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count66
Aliphatic Atom Count 28
Aliphatic Bond Count 29
Aromatic Bond Count 0
Asymmetric Atom Count 2
Bond Count 67
Chain Atom Count 16
Chain Bond Count 17
Chiral Center Count 2
Ring Atom Count 12
Ring Bond Count 12
Rotatable Bond Count 11
Stereo Double Bond Count 2
Aliphatic Ring Count 2
Aromatic Ring Count 0
Carbo Ring Count 0
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 2
Smallest Ring Size 6
Smallest Ring System Size 1

 






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