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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.63
Van der Waals volume 224
Polar Surface Area 77.76
Van der Waals Surface Area 331.52
Refractivity 72.82

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ELEMENTAL PROPERTIESExact Mass 256.074
Isotope Formula C15H12O4
Dot Disconnected Formula C15H12O4
Dot Disconnected Isotope Formula C15H12O4
Composition C (70.31%), H (4.72%), O (24.97%)
Isotope Composition C (70.31%), H (4.72%), O (24.97%)
Donor Sites 3
Donor Count 3
Acceptor Sites 5
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count31
Aliphatic Atom Count 7
Aliphatic Bond Count 8
Aromatic Bond Count 12
Asymmetric Atom Count 0
Bond Count 32
Chain Atom Count 7
Chain Bond Count 8
Chiral Center Count 0
Ring Atom Count 12
Ring Bond Count 12
Rotatable Bond Count 3
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.