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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.95
Van der Waals volume 499.48
Polar Surface Area 97.99
Van der Waals Surface Area 827.96
Refractivity 133.82

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ELEMENTAL PROPERTIESExact Mass 478.366
Isotope Formula C29H50O5
Dot Disconnected Formula C29H50O5
Dot Disconnected Isotope Formula C29H50O5
Composition C (72.76%), H (10.53%), O (16.71%)
Isotope Composition C (72.76%), H (10.53%), O (16.71%)
Donor Sites 4
Donor Count 4
Acceptor Sites 6
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count84
Aliphatic Atom Count 34
Aliphatic Bond Count 37
Aromatic Bond Count 0
Asymmetric Atom Count 13
Bond Count 87
Chain Atom Count 17
Chain Bond Count 17
Chiral Center Count 13
Ring Atom Count 17
Ring Bond Count 20
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 4
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
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.