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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.39
Van der Waals volume 430.34
Polar Surface Area 100.9
Van der Waals Surface Area 676.57
Refractivity 124.17

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ELEMENTAL PROPERTIESExact Mass 432.251
Isotope Formula C25H36O6
Dot Disconnected Formula C25H36O6
Dot Disconnected Isotope Formula C25H36O6
Composition C (69.42%), H (8.39%), O (22.19%)
Isotope Composition C (69.42%), H (8.39%), O (22.19%)
Donor Sites 2
Donor Count 2
Acceptor Sites 8
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count67
Aliphatic Atom Count 31
Aliphatic Bond Count 31
Aromatic Bond Count 0
Asymmetric Atom Count 3
Bond Count 67
Chain Atom Count 24
Chain Bond Count 24
Chiral Center Count 3
Ring Atom Count 7
Ring Bond Count 7
Rotatable Bond Count 10
Stereo Double Bond Count 2
Aliphatic Ring Count 1
Aromatic Ring Count 0
Carbo Ring Count 1
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 7
Largest Ring System Size 1
Ring Count 1
Smallest Ring Size 7
Smallest Ring System Size 1

 






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