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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.42
Van der Waals volume 571.97
Polar Surface Area 171.99
Van der Waals Surface Area 906.84
Refractivity 166.3

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ELEMENTAL PROPERTIESExact Mass 617.32
Isotope Formula C33H47NO10
Dot Disconnected Formula C33H47NO10
Dot Disconnected Isotope Formula C33H47NO10
Composition C (64.16%), H (7.67%), N (2.27%), O (25.9%)
Isotope Composition C (64.16%), H (7.67%), N (2.27%), O (25.9%)
Donor Sites 4
Donor Count 4
Acceptor Sites 14
Acceptor Count 10


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TOPOLOGICAL PROPERTIESAtom Count91
Aliphatic Atom Count 44
Aliphatic Bond Count 49
Aromatic Bond Count 0
Asymmetric Atom Count 13
Bond Count 96
Chain Atom Count 20
Chain Bond Count 21
Chiral Center Count 13
Ring Atom Count 24
Ring Bond Count 28
Rotatable Bond Count 10
Stereo Double Bond Count 0
Aliphatic Ring Count 6
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 6
Smallest Ring Size 3
Smallest Ring System Size 1

 






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