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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.05
Van der Waals volume 339.16
Polar Surface Area 57.15
Van der Waals Surface Area 563.7
Refractivity 99.43

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ELEMENTAL PROPERTIESExact Mass 358.178
Isotope Formula C21H26O5
Dot Disconnected Formula C21H26O5
Dot Disconnected Isotope Formula C21H26O5
Composition C (70.37%), H (7.31%), O (22.32%)
Isotope Composition C (70.37%), H (7.31%), O (22.32%)
Donor Sites 1
Donor Count 1
Acceptor Sites 5
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count52
Aliphatic Atom Count 14
Aliphatic Bond Count 16
Aromatic Bond Count 12
Asymmetric Atom Count 4
Bond Count 54
Chain Atom Count 9
Chain Bond Count 11
Chiral Center Count 4
Ring Atom Count 17
Ring Bond Count 17
Rotatable Bond Count 5
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.