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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.16
Van der Waals volume 432.27
Polar Surface Area 96.59
Van der Waals Surface Area 708.91
Refractivity 125.9

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ELEMENTAL PROPERTIESExact Mass 470.194
Isotope Formula C26H30O8
Dot Disconnected Formula C26H30O8
Dot Disconnected Isotope Formula C26H30O8
Composition C (66.37%), H (6.43%), O (27.2%)
Isotope Composition C (66.37%), H (6.43%), O (27.2%)
Donor Sites 1
Donor Count 1
Acceptor Sites 7
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count64
Aliphatic Atom Count 19
Aliphatic Bond Count 20
Aromatic Bond Count 16
Asymmetric Atom Count 0
Bond Count 66
Chain Atom Count 19
Chain Bond Count 20
Chiral Center Count 0
Ring Atom Count 15
Ring Bond Count 16
Rotatable Bond Count 11
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 5
Smallest Ring System Size 1

 






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