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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.46
Van der Waals volume 357.17
Polar Surface Area 166.14
Van der Waals Surface Area 531.87
Refractivity 105.31

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ELEMENTAL PROPERTIESExact Mass 432.106
Isotope Formula C21H20O10
Dot Disconnected Formula C21H20O10
Dot Disconnected Isotope Formula C21H20O10
Composition C (58.33%), H (4.66%), O (37%)
Isotope Composition C (58.33%), H (4.66%), O (37%)
Donor Sites 6
Donor Count 6
Acceptor Sites 11
Acceptor Count 10


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TOPOLOGICAL PROPERTIESAtom Count51
Aliphatic Atom Count 15
Aliphatic Bond Count 17
Aromatic Bond Count 17
Asymmetric Atom Count 5
Bond Count 54
Chain Atom Count 9
Chain Bond Count 11
Chiral Center Count 5
Ring Atom Count 22
Ring Bond Count 23
Rotatable Bond Count 4
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 3
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 2
Hetero Ring Count 2
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 4
Smallest Ring Size 6
Smallest Ring System Size 1

 






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