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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.13
Van der Waals volume 356.52
Polar Surface Area 63.22
Van der Waals Surface Area 577.3
Refractivity 108.28

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ELEMENTAL PROPERTIESExact Mass 396.157
Isotope Formula C23H24O6
Dot Disconnected Formula C23H24O6
Dot Disconnected Isotope Formula C23H24O6
Composition C (69.68%), H (6.1%), O (24.22%)
Isotope Composition C (69.68%), H (6.1%), O (24.22%)
Donor Sites 0
Donor Count 0
Acceptor Sites 7
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count53
Aliphatic Atom Count 17
Aliphatic Bond Count 20
Aromatic Bond Count 12
Asymmetric Atom Count 1
Bond Count 56
Chain Atom Count 10
Chain Bond Count 11
Chiral Center Count 1
Ring Atom Count 19
Ring Bond Count 21
Rotatable Bond Count 5
Stereo Double Bond Count 0
Aliphatic Ring Count 2
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 4
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 2

 






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