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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.71
Van der Waals volume 249.66
Polar Surface Area 17.07
Van der Waals Surface Area 428.76
Refractivity 70.32

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ELEMENTAL PROPERTIESExact Mass 222.198
Isotope Formula C15H26O
Dot Disconnected Formula C15H26O
Dot Disconnected Isotope Formula C15H26O
Composition C (81.02%), H (11.79%), O (7.2%)
Isotope Composition C (81.02%), H (11.79%), O (7.2%)
Donor Sites 0
Donor Count 0
Acceptor Sites 2
Acceptor Count 1


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TOPOLOGICAL PROPERTIESAtom Count42
Aliphatic Atom Count 16
Aliphatic Bond Count 16
Aromatic Bond Count 0
Asymmetric Atom Count 2
Bond Count 42
Chain Atom Count 10
Chain Bond Count 10
Chiral Center Count 2
Ring Atom Count 6
Ring Bond Count 6
Rotatable Bond Count 5
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 0
Carbo Ring Count 1
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 0
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 1
Smallest Ring Size 6
Smallest Ring System Size 1

 






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