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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.14
Van der Waals volume 506.08
Polar Surface Area 162.98
Van der Waals Surface Area 795.08
Refractivity 136.79

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ELEMENTAL PROPERTIESExact Mass 550.278
Isotope Formula C29H42O10
Dot Disconnected Formula C29H42O10
Dot Disconnected Isotope Formula C29H42O10
Composition C (63.26%), H (7.69%), O (29.06%)
Isotope Composition C (63.26%), H (7.69%), O (29.06%)
Donor Sites 5
Donor Count 5
Acceptor Sites 11
Acceptor Count 9


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TOPOLOGICAL PROPERTIESAtom Count81
Aliphatic Atom Count 39
Aliphatic Bond Count 44
Aromatic Bond Count 0
Asymmetric Atom Count 13
Bond Count 86
Chain Atom Count 11
Chain Bond Count 13
Chiral Center Count 13
Ring Atom Count 28
Ring Bond Count 31
Rotatable Bond Count 4
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 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 6
Smallest Ring Size 5
Smallest Ring System Size 1

 






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