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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.8
Van der Waals volume 244.13
Polar Surface Area 110.38
Van der Waals Surface Area 371.29
Refractivity 74

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ELEMENTAL PROPERTIESExact Mass 290.079
Isotope Formula C15H14O6
Dot Disconnected Formula C15H14O6
Dot Disconnected Isotope Formula C15H14O6
Composition C (62.07%), H (4.86%), O (33.07%)
Isotope Composition C (62.07%), H (4.86%), O (33.07%)
Donor Sites 5
Donor Count 5
Acceptor Sites 6
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count35
Aliphatic Atom Count 9
Aliphatic Bond Count 11
Aromatic Bond Count 12
Asymmetric Atom Count 2
Bond Count 37
Chain Atom Count 5
Chain Bond Count 6
Chiral Center Count 2
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 1
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 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
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.