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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.54
Van der Waals volume 410.18
Polar Surface Area 186.37
Van der Waals Surface Area 627.94
Refractivity 117.53

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ELEMENTAL PROPERTIESExact Mass 478.148
Isotope Formula C23H26O11
Dot Disconnected Formula C23H26O11
Dot Disconnected Isotope Formula C23H26O11
Composition C (57.74%), H (5.48%), O (36.78%)
Isotope Composition C (57.74%), H (5.48%), O (36.78%)
Donor Sites 7
Donor Count 7
Acceptor Sites 11
Acceptor Count 10


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TOPOLOGICAL PROPERTIESAtom Count60
Aliphatic Atom Count 22
Aliphatic Bond Count 24
Aromatic Bond Count 12
Asymmetric Atom Count 5
Bond Count 62
Chain Atom Count 16
Chain Bond Count 18
Chiral Center Count 5
Ring Atom Count 18
Ring Bond Count 18
Rotatable Bond Count 9
Stereo Double Bond Count 1
Aliphatic Ring Count 1
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 1

 






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