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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.4
Van der Waals volume 318.71
Polar Surface Area 74.6
Van der Waals Surface Area 457.28
Refractivity 103.8

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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 2
Donor Count 2
Acceptor Sites 6
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count48
Aliphatic Atom Count 24
Aliphatic Bond Count 23
Aromatic Bond Count 0
Asymmetric Atom Count 0
Bond Count 47
Chain Atom Count 24
Chain Bond Count 23
Chiral Center Count 0
Ring Atom Count 0
Ring Bond Count 0
Rotatable Bond Count 8
Stereo Double Bond Count 7
Aliphatic Ring Count 0
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 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 0
Largest Ring System Size 0
Ring Count 0
Smallest Ring Size 0
Smallest Ring System Size 0

 






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