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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.25
Van der Waals volume 410.98
Polar Surface Area 96.22
Van der Waals Surface Area 653.87
Refractivity 126.21

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ELEMENTAL PROPERTIESExact Mass 438.204
Isotope Formula C26H30O6
Dot Disconnected Formula C26H30O6
Dot Disconnected Isotope Formula C26H30O6
Composition C (71.21%), H (6.9%), O (21.89%)
Isotope Composition C (71.21%), H (6.9%), O (21.89%)
Donor Sites 3
Donor Count 3
Acceptor Sites 7
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count62
Aliphatic Atom Count 20
Aliphatic Bond Count 22
Aromatic Bond Count 12
Asymmetric Atom Count 1
Bond Count 64
Chain Atom Count 16
Chain Bond Count 17
Chiral Center Count 1
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 6
Stereo Double Bond Count 1
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 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 1

 






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