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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.86
Van der Waals volume 379.19
Polar Surface Area 90.91
Van der Waals Surface Area 627.59
Refractivity 112.21

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ELEMENTAL PROPERTIESExact Mass 432.142
Isotope Formula C22H24O9
Dot Disconnected Formula C22H24O9
Dot Disconnected Isotope Formula C22H24O9
Composition C (61.11%), H (5.59%), O (33.3%)
Isotope Composition C (61.11%), H (5.59%), O (33.3%)
Donor Sites 0
Donor Count 0
Acceptor Sites 10
Acceptor Count 9


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TOPOLOGICAL PROPERTIESAtom Count55
Aliphatic Atom Count 15
Aliphatic Bond Count 16
Aromatic Bond Count 17
Asymmetric Atom Count 0
Bond Count 57
Chain Atom Count 15
Chain Bond Count 16
Chiral Center Count 0
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 8
Stereo Double Bond Count 0
Aliphatic Ring Count 0
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 1
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 1

 






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