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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.13
Van der Waals volume 491.76
Polar Surface Area 107.22
Van der Waals Surface Area 811.63
Refractivity 130.41

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ELEMENTAL PROPERTIESExact Mass 480.345
Isotope Formula C28H48O6
Dot Disconnected Formula C28H48O6
Dot Disconnected Isotope Formula C28H48O6
Composition C (69.96%), H (10.07%), O (19.97%)
Isotope Composition C (69.96%), H (10.07%), O (19.97%)
Donor Sites 4
Donor Count 4
Acceptor Sites 6
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count82
Aliphatic Atom Count 34
Aliphatic Bond Count 37
Aromatic Bond Count 0
Asymmetric Atom Count 13
Bond Count 85
Chain Atom Count 16
Chain Bond Count 16
Chiral Center Count 13
Ring Atom Count 18
Ring Bond Count 21
Rotatable Bond Count 5
Stereo Double Bond Count 0
Aliphatic Ring Count 4
Aromatic Ring Count 0
Carbo Ring Count 3
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 7
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 4

 






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