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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 9.29
Van der Waals volume 456.39
Polar Surface Area 29.46
Van der Waals Surface Area 767.38
Refractivity 137.92

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ELEMENTAL PROPERTIESExact Mass 424.334
Isotope Formula C29H44O2
Dot Disconnected Formula C29H44O2
Dot Disconnected Isotope Formula C29H44O2
Composition C (82.02%), H (10.44%), O (7.54%)
Isotope Composition C (82.02%), H (10.44%), O (7.54%)
Donor Sites 1
Donor Count 1
Acceptor Sites 2
Acceptor Count 2


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TOPOLOGICAL PROPERTIESAtom Count75
Aliphatic Atom Count 25
Aliphatic Bond Count 26
Aromatic Bond Count 6
Asymmetric Atom Count 1
Bond Count 76
Chain Atom Count 21
Chain Bond Count 21
Chiral Center Count 1
Ring Atom Count 10
Ring Bond Count 11
Rotatable Bond Count 9
Stereo Double Bond Count 2
Aliphatic Ring Count 1
Aromatic Ring Count 1
Carbo Ring Count 1
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 2
Smallest Ring Size 6
Smallest Ring System Size 2

 






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