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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.23
Van der Waals volume 453.7
Polar Surface Area 162.98
Van der Waals Surface Area 653.38
Refractivity 149.39

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ELEMENTAL PROPERTIESExact Mass 552.106
Isotope Formula C31H20O10
Dot Disconnected Formula C31H20O10
Dot Disconnected Isotope Formula C31H20O10
Composition C (67.39%), H (3.65%), O (28.96%)
Isotope Composition C (67.39%), H (3.65%), O (28.96%)
Donor Sites 5
Donor Count 5
Acceptor Sites 12
Acceptor Count 10


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TOPOLOGICAL PROPERTIESAtom Count61
Aliphatic Atom Count 9
Aliphatic Bond Count 12
Aromatic Bond Count 34
Asymmetric Atom Count 0
Bond Count 66
Chain Atom Count 9
Chain Bond Count 12
Chiral Center Count 0
Ring Atom Count 32
Ring Bond Count 34
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 6
Carbo Ring Count 4
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 4
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 4
Fused Ring Count 4
Hetero Ring Count 2
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 2
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 6
Smallest Ring Size 6
Smallest Ring System Size 1

 






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