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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 8.12
Van der Waals volume 472.28
Polar Surface Area 17.07
Van der Waals Surface Area 811.18
Refractivity 130.21

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ELEMENTAL PROPERTIESExact Mass 426.386
Isotope Formula C30H50O
Dot Disconnected Formula C30H50O
Dot Disconnected Isotope Formula C30H50O
Composition C (84.44%), H (11.81%), O (3.75%)
Isotope Composition C (84.44%), H (11.81%), O (3.75%)
Donor Sites 0
Donor Count 0
Acceptor Sites 2
Acceptor Count 1


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TOPOLOGICAL PROPERTIESAtom Count81
Aliphatic Atom Count 31
Aliphatic Bond Count 35
Aromatic Bond Count 0
Asymmetric Atom Count 9
Bond Count 85
Chain Atom Count 9
Chain Bond Count 9
Chiral Center Count 9
Ring Atom Count 22
Ring Bond Count 26
Rotatable Bond Count 0
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 0
Carbo Ring Count 5
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 5
Smallest Ring Size 6
Smallest Ring System Size 5

 






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