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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.31
Van der Waals volume 330.04
Polar Surface Area 88.38
Van der Waals Surface Area 535.83
Refractivity 97.19

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ELEMENTAL PROPERTIESExact Mass 360.157
Isotope Formula C20H24O6
Dot Disconnected Formula C20H24O6
Dot Disconnected Isotope Formula C20H24O6
Composition C (66.65%), H (6.71%), O (26.64%)
Isotope Composition C (66.65%), H (6.71%), O (26.64%)
Donor Sites 3
Donor Count 3
Acceptor Sites 6
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count50
Aliphatic Atom Count 14
Aliphatic Bond Count 16
Aromatic Bond Count 12
Asymmetric Atom Count 3
Bond Count 52
Chain Atom Count 9
Chain Bond Count 11
Chiral Center Count 3
Ring Atom Count 17
Ring Bond Count 17
Rotatable Bond Count 6
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.