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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.16
Van der Waals volume 309.43
Polar Surface Area 71.44
Van der Waals Surface Area 474.1
Refractivity 93.94

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ELEMENTAL PROPERTIESExact Mass 328.167
Isotope Formula C20H24O4
Dot Disconnected Formula C20H24O4
Dot Disconnected Isotope Formula C20H24O4
Composition C (73.15%), H (7.37%), O (19.49%)
Isotope Composition C (73.15%), H (7.37%), O (19.49%)
Donor Sites 1
Donor Count 1
Acceptor Sites 7
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count48
Aliphatic Atom Count 24
Aliphatic Bond Count 26
Aromatic Bond Count 0
Asymmetric Atom Count 1
Bond Count 50
Chain Atom Count 11
Chain Bond Count 11
Chiral Center Count 1
Ring Atom Count 13
Ring Bond Count 15
Rotatable Bond Count 2
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 6
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.