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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.7
Van der Waals volume 309.58
Polar Surface Area 97.99
Van der Waals Surface Area 468.94
Refractivity 99.04

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ELEMENTAL PROPERTIESExact Mass 340.131
Isotope Formula C20H20O5
Dot Disconnected Formula C20H20O5
Dot Disconnected Isotope Formula C20H20O5
Composition C (70.57%), H (5.92%), O (23.5%)
Isotope Composition C (70.57%), H (5.92%), O (23.5%)
Donor Sites 4
Donor Count 4
Acceptor Sites 6
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count45
Aliphatic Atom Count 13
Aliphatic Bond Count 14
Aromatic Bond Count 12
Asymmetric Atom Count 0
Bond Count 46
Chain Atom Count 13
Chain Bond Count 14
Chiral Center Count 0
Ring Atom Count 12
Ring Bond Count 12
Rotatable Bond Count 5
Stereo Double Bond Count 1
Aliphatic Ring Count 0
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
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 6
Largest Ring System Size 1
Ring Count 2
Smallest Ring Size 6
Smallest Ring System Size 1

 






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