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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.66
Van der Waals volume 420.99
Polar Surface Area 80.67
Van der Waals Surface Area 668.58
Refractivity 122.22

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ELEMENTAL PROPERTIESExact Mass 416.256
Isotope Formula C25H36O5
Dot Disconnected Formula C25H36O5
Dot Disconnected Isotope Formula C25H36O5
Composition C (72.08%), H (8.71%), O (19.2%)
Isotope Composition C (72.08%), H (8.71%), O (19.2%)
Donor Sites 1
Donor Count 1
Acceptor Sites 7
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count66
Aliphatic Atom Count 30
Aliphatic Bond Count 30
Aromatic Bond Count 0
Asymmetric Atom Count 3
Bond Count 66
Chain Atom Count 23
Chain Bond Count 23
Chiral Center Count 3
Ring Atom Count 7
Ring Bond Count 7
Rotatable Bond Count 10
Stereo Double Bond Count 1
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.