NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
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CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.54
Van der Waals volume 245.35
Polar Surface Area 20.23
Van der Waals Surface Area 413.78
Refractivity 69.43

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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 1
Donor Count 1
Acceptor Sites 1
Acceptor Count 1


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TOPOLOGICAL PROPERTIESAtom Count42
Aliphatic Atom Count 16
Aliphatic Bond Count 17
Aromatic Bond Count 0
Asymmetric Atom Count 4
Bond Count 43
Chain Atom Count 6
Chain Bond Count 6
Chiral Center Count 4
Ring Atom Count 10
Ring Bond Count 11
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 0
Carbo Ring Count 2
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 2
Smallest Ring Size 6
Smallest Ring System Size 2

 






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