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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.43
Van der Waals volume 415.15
Polar Surface Area 122.52
Van der Waals Surface Area 662.73
Refractivity 112.32

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ELEMENTAL PROPERTIESExact Mass 448.21
Isotope Formula C24H32O8
Dot Disconnected Formula C24H32O8
Dot Disconnected Isotope Formula C24H32O8
Composition C (64.27%), H (7.19%), O (28.54%)
Isotope Composition C (64.27%), H (7.19%), O (28.54%)
Donor Sites 3
Donor Count 3
Acceptor Sites 8
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count64
Aliphatic Atom Count 26
Aliphatic Bond Count 29
Aromatic Bond Count 6
Asymmetric Atom Count 8
Bond Count 67
Chain Atom Count 14
Chain Bond Count 15
Chiral Center Count 8
Ring Atom Count 18
Ring Bond Count 20
Rotatable Bond Count 5
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 1
Carbo Ring Count 3
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 1

 






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