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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.29
Van der Waals volume 275.84
Polar Surface Area 69.67
Van der Waals Surface Area 423.31
Refractivity 78.77

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ELEMENTAL PROPERTIESExact Mass 304.131
Isotope Formula C17H20O5
Dot Disconnected Formula C17H20O5
Dot Disconnected Isotope Formula C17H20O5
Composition C (67.09%), H (6.62%), O (26.29%)
Isotope Composition C (67.09%), H (6.62%), O (26.29%)
Donor Sites 0
Donor Count 0
Acceptor Sites 6
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count42
Aliphatic Atom Count 22
Aliphatic Bond Count 24
Aromatic Bond Count 0
Asymmetric Atom Count 6
Bond Count 44
Chain Atom Count 9
Chain Bond Count 9
Chiral Center Count 6
Ring Atom Count 13
Ring Bond Count 15
Rotatable Bond Count 2
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 0
Carbo Ring Count 2
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 7
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 3

 






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