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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.76
Van der Waals volume 305.16
Polar Surface Area 79.15
Van der Waals Surface Area 489.48
Refractivity 90.47

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ELEMENTAL PROPERTIESExact Mass 330.147
Isotope Formula C19H22O5
Dot Disconnected Formula C19H22O5
Dot Disconnected Isotope Formula C19H22O5
Composition C (69.07%), H (6.71%), O (24.21%)
Isotope Composition C (69.07%), H (6.71%), O (24.21%)
Donor Sites 3
Donor Count 3
Acceptor Sites 5
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count46
Aliphatic Atom Count 12
Aliphatic Bond Count 14
Aromatic Bond Count 12
Asymmetric Atom Count 4
Bond Count 48
Chain Atom Count 7
Chain Bond Count 9
Chiral Center Count 4
Ring Atom Count 17
Ring Bond Count 17
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 1
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 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 1

 






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