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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.71
Van der Waals volume 456.17
Polar Surface Area 136.43
Van der Waals Surface Area 729.11
Refractivity 121.23

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ELEMENTAL PROPERTIESExact Mass 492.236
Isotope Formula C26H36O9
Dot Disconnected Formula C26H36O9
Dot Disconnected Isotope Formula C26H36O9
Composition C (63.4%), H (7.37%), O (29.23%)
Isotope Composition C (63.4%), H (7.37%), O (29.23%)
Donor Sites 2
Donor Count 2
Acceptor Sites 10
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count71
Aliphatic Atom Count 35
Aliphatic Bond Count 38
Aromatic Bond Count 0
Asymmetric Atom Count 10
Bond Count 74
Chain Atom Count 19
Chain Bond Count 19
Chiral Center Count 10
Ring Atom Count 16
Ring Bond Count 19
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 4
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 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 4

 






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