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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.06
Van der Waals volume 390.1
Polar Surface Area 98.75
Van der Waals Surface Area 628.66
Refractivity 113.06

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ELEMENTAL PROPERTIESExact Mass 456.142
Isotope Formula C24H24O9
Dot Disconnected Formula C24H24O9
Dot Disconnected Isotope Formula C24H24O9
Composition C (63.15%), H (5.3%), O (31.55%)
Isotope Composition C (63.15%), H (5.3%), O (31.55%)
Donor Sites 0
Donor Count 0
Acceptor Sites 9
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count57
Aliphatic Atom Count 21
Aliphatic Bond Count 25
Aromatic Bond Count 12
Asymmetric Atom Count 4
Bond Count 61
Chain Atom Count 11
Chain Bond Count 12
Chiral Center Count 4
Ring Atom Count 22
Ring Bond Count 25
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 2
Carbo Ring Count 3
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 1

 






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