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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.46
Van der Waals volume 301.83
Polar Surface Area 17.07
Van der Waals Surface Area 427.16
Refractivity 86.39

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ELEMENTAL PROPERTIESExact Mass 286.23
Isotope Formula C20H30O
Dot Disconnected Formula C20H30O
Dot Disconnected Isotope Formula C20H30O
Composition C (83.86%), H (10.56%), O (5.59%)
Isotope Composition C (83.86%), H (10.56%), O (5.59%)
Donor Sites 0
Donor Count 0
Acceptor Sites 2
Acceptor Count 1


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TOPOLOGICAL PROPERTIESAtom Count51
Aliphatic Atom Count 21
Aliphatic Bond Count 24
Aromatic Bond Count 0
Asymmetric Atom Count 5
Bond Count 54
Chain Atom Count 5
Chain Bond Count 5
Chiral Center Count 5
Ring Atom Count 16
Ring Bond Count 19
Rotatable Bond Count 0
Stereo Double Bond Count 0
Aliphatic Ring Count 4
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 4

 






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