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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.05
Van der Waals volume 502.16
Polar Surface Area 77.02
Van der Waals Surface Area 840.29
Refractivity 134.9

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ELEMENTAL PROPERTIESExact Mass 491.361
Isotope Formula C29H49NO5
Dot Disconnected Formula C29H49NO5
Dot Disconnected Isotope Formula C29H49NO5
Composition C (70.84%), H (10.04%), N (2.85%), O (16.27%)
Isotope Composition C (70.84%), H (10.04%), N (2.85%), O (16.27%)
Donor Sites 2
Donor Count 2
Acceptor Sites 7
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count84
Aliphatic Atom Count 35
Aliphatic Bond Count 39
Aromatic Bond Count 0
Asymmetric Atom Count 12
Bond Count 88
Chain Atom Count 12
Chain Bond Count 13
Chiral Center Count 12
Ring Atom Count 23
Ring Bond Count 26
Rotatable Bond Count 5
Stereo Double Bond Count 0
Aliphatic Ring Count 5
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 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 1

 






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