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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.45
Van der Waals volume 288.21
Polar Surface Area 69.67
Van der Waals Surface Area 426.92
Refractivity 93.85

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ELEMENTAL PROPERTIESExact Mass 336.1
Isotope Formula C20H16O5
Dot Disconnected Formula C20H16O5
Dot Disconnected Isotope Formula C20H16O5
Composition C (71.42%), H (4.79%), O (23.78%)
Isotope Composition C (71.42%), H (4.79%), O (23.78%)
Donor Sites 0
Donor Count 0
Acceptor Sites 8
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count41
Aliphatic Atom Count 14
Aliphatic Bond Count 17
Aromatic Bond Count 11
Asymmetric Atom Count 0
Bond Count 44
Chain Atom Count 8
Chain Bond Count 8
Chiral Center Count 0
Ring Atom Count 17
Ring Bond Count 20
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 2
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 4

 






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