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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.45
Van der Waals volume 299.81
Polar Surface Area 54.37
Van der Waals Surface Area 446.76
Refractivity 92.03

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ELEMENTAL PROPERTIESExact Mass 312.173
Isotope Formula C20H24O3
Dot Disconnected Formula C20H24O3
Dot Disconnected Isotope Formula C20H24O3
Composition C (76.89%), H (7.74%), O (15.36%)
Isotope Composition C (76.89%), H (7.74%), O (15.36%)
Donor Sites 1
Donor Count 1
Acceptor Sites 5
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count47
Aliphatic Atom Count 23
Aliphatic Bond Count 25
Aromatic Bond Count 0
Asymmetric Atom Count 4
Bond Count 49
Chain Atom Count 9
Chain Bond Count 9
Chiral Center Count 4
Ring Atom Count 14
Ring Bond Count 16
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 0
Carbo Ring Count 3
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 7
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 3

 






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