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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -1.28
Van der Waals volume 292.6
Polar Surface Area 40.8
Van der Waals Surface Area 473.15
Refractivity 93.52

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ELEMENTAL PROPERTIESExact Mass 336.124
Isotope Formula C20H18NO4
Dot Disconnected Formula C20H18NO4
Dot Disconnected Isotope Formula C20H18NO4
Composition C (71.42%), H (5.39%), N (4.16%), O (19.03%)
Isotope Composition C (71.42%), H (5.39%), N (4.16%), O (19.03%)
Donor Sites 0
Donor Count 0
Acceptor Sites 4
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count43
Aliphatic Atom Count 9
Aliphatic Bond Count 12
Aromatic Bond Count 17
Asymmetric Atom Count 0
Bond Count 47
Chain Atom Count 4
Chain Bond Count 4
Chiral Center Count 0
Ring Atom Count 21
Ring Bond Count 25
Rotatable Bond Count 2
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 3
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 5
Hetero Ring Count 3
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 5

 






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