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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.23
Van der Waals volume 283.78
Polar Surface Area 85.22
Van der Waals Surface Area 442.44
Refractivity 0

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ELEMENTAL PROPERTIESExact Mass 328.095
Isotope Formula C18H16O6
Dot Disconnected Formula C18H16O6
Dot Disconnected Isotope Formula C18H16O6
Composition C (65.85%), H (4.91%), O (29.24%)
Isotope Composition C (65.85%), H (4.91%), O (29.24%)
Donor Sites 2
Donor Count 2
Acceptor Sites 7
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count40
Aliphatic Atom Count 8
Aliphatic Bond Count 9
Aromatic Bond Count 17
Asymmetric Atom Count 0
Bond Count 42
Chain Atom Count 8
Chain Bond Count 9
Chiral Center Count 0
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 3
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 1
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.