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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.09
Van der Waals volume 254.75
Polar Surface Area 66.76
Van der Waals Surface Area 400.37
Refractivity 69.57

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ELEMENTAL PROPERTIESExact Mass 266.152
Isotope Formula C15H22O4
Dot Disconnected Formula C15H22O4
Dot Disconnected Isotope Formula C15H22O4
Composition C (67.64%), H (8.33%), O (24.03%)
Isotope Composition C (67.64%), H (8.33%), O (24.03%)
Donor Sites 2
Donor Count 2
Acceptor Sites 4
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count41
Aliphatic Atom Count 19
Aliphatic Bond Count 21
Aromatic Bond Count 0
Asymmetric Atom Count 6
Bond Count 43
Chain Atom Count 6
Chain Bond Count 6
Chiral Center Count 6
Ring Atom Count 13
Ring Bond Count 15
Rotatable Bond Count 0
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 6
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.