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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -1.9
Van der Waals volume 651.46
Polar Surface Area 265.27
Van der Waals Surface Area 1011.96
Refractivity 173.06

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ELEMENTAL PROPERTIESExact Mass 740.289
Isotope Formula C35H48O17
Dot Disconnected Formula C35H48O17
Dot Disconnected Isotope Formula C35H48O17
Composition C (56.75%), H (6.53%), O (36.72%)
Isotope Composition C (56.75%), H (6.53%), O (36.72%)
Donor Sites 7
Donor Count 7
Acceptor Sites 18
Acceptor Count 14


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TOPOLOGICAL PROPERTIESAtom Count100
Aliphatic Atom Count 52
Aliphatic Bond Count 57
Aromatic Bond Count 0
Asymmetric Atom Count 16
Bond Count 105
Chain Atom Count 27
Chain Bond Count 28
Chiral Center Count 16
Ring Atom Count 25
Ring Bond Count 29
Rotatable Bond Count 10
Stereo Double Bond Count 1
Aliphatic Ring Count 6
Aromatic Ring Count 0
Carbo Ring Count 3
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 6
Smallest Ring Size 5
Smallest Ring System Size 1

 






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