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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 7.04
Van der Waals volume 563.42
Polar Surface Area 136.68
Van der Waals Surface Area 874.16
Refractivity 173.71

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ELEMENTAL PROPERTIESExact Mass 610.257
Isotope Formula C37H38O8
Dot Disconnected Formula C37H38O8
Dot Disconnected Isotope Formula C37H38O8
Composition C (72.77%), H (6.27%), O (20.96%)
Isotope Composition C (72.77%), H (6.27%), O (20.96%)
Donor Sites 5
Donor Count 5
Acceptor Sites 9
Acceptor Count 8


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TOPOLOGICAL PROPERTIESAtom Count83
Aliphatic Atom Count 21
Aliphatic Bond Count 25
Aromatic Bond Count 24
Asymmetric Atom Count 3
Bond Count 87
Chain Atom Count 17
Chain Bond Count 20
Chiral Center Count 3
Ring Atom Count 28
Ring Bond Count 29
Rotatable Bond Count 12
Stereo Double Bond Count 1
Aliphatic Ring Count 1
Aromatic Ring Count 4
Carbo Ring Count 4
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 4
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 5
Smallest Ring Size 6
Smallest Ring System Size 1

 






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