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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.5
Van der Waals volume 797.26
Polar Surface Area 266.99
Van der Waals Surface Area 1240.69
Refractivity 220.61

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ELEMENTAL PROPERTIESExact Mass 918.306
Isotope Formula C46H50N2O18
Dot Disconnected Formula C46H50N2O18
Dot Disconnected Isotope Formula C46H50N2O18
Composition C (60.13%), H (5.48%), N (3.05%), O (31.34%)
Isotope Composition C (60.13%), H (5.48%), N (3.05%), O (31.34%)
Donor Sites 2
Donor Count 2
Acceptor Sites 20
Acceptor Count 12


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TOPOLOGICAL PROPERTIESAtom Count116
Aliphatic Atom Count 48
Aliphatic Bond Count 54
Aromatic Bond Count 18
Asymmetric Atom Count 13
Bond Count 122
Chain Atom Count 29
Chain Bond Count 31
Chiral Center Count 13
Ring Atom Count 37
Ring Bond Count 41
Rotatable Bond Count 13
Stereo Double Bond Count 0
Aliphatic Ring Count 4
Aromatic Ring Count 3
Carbo Ring Count 3
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 4
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 2
Largest Ring Size 14
Largest Ring System Size 5
Ring Count 7
Smallest Ring Size 5
Smallest Ring System Size 1

 






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