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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.81
Van der Waals volume 299.33
Polar Surface Area 86.99
Van der Waals Surface Area 452.73
Refractivity 95.93

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ELEMENTAL PROPERTIESExact Mass 338.115
Isotope Formula C20H18O5
Dot Disconnected Formula C20H18O5
Dot Disconnected Isotope Formula C20H18O5
Composition C (70.99%), H (5.36%), O (23.64%)
Isotope Composition C (70.99%), H (5.36%), O (23.64%)
Donor Sites 3
Donor Count 3
Acceptor Sites 6
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count43
Aliphatic Atom Count 9
Aliphatic Bond Count 10
Aromatic Bond Count 17
Asymmetric Atom Count 0
Bond Count 45
Chain Atom Count 9
Chain Bond Count 10
Chiral Center Count 0
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 0
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 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 1

 






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