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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -0.12
Van der Waals volume 316.96
Polar Surface Area 153.75
Van der Waals Surface Area 485.84
Refractivity 170.16

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ELEMENTAL PROPERTIESExact Mass 368.111
Isotope Formula C17H20O9
Dot Disconnected Formula C17H20O9
Dot Disconnected Isotope Formula C17H20O9
Composition C (55.43%), H (5.47%), O (39.09%)
Isotope Composition C (55.43%), H (5.47%), O (39.09%)
Donor Sites 5
Donor Count 5
Acceptor Sites 9
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count46
Aliphatic Atom Count 20
Aliphatic Bond Count 21
Aromatic Bond Count 6
Asymmetric Atom Count 4
Bond Count 47
Chain Atom Count 14
Chain Bond Count 15
Chiral Center Count 4
Ring Atom Count 12
Ring Bond Count 12
Rotatable Bond Count 6
Stereo Double Bond Count 1
Aliphatic Ring Count 1
Aromatic Ring Count 1
Carbo Ring Count 2
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 2
Smallest Ring Size 6
Smallest Ring System Size 1

 






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