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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.01
Van der Waals volume 302.09
Polar Surface Area 43.37
Van der Waals Surface Area 480.88
Refractivity 85.98

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ELEMENTAL PROPERTIESExact Mass 314.188
Isotope Formula C20H26O3
Dot Disconnected Formula C20H26O3
Dot Disconnected Isotope Formula C20H26O3
Composition C (76.4%), H (8.33%), O (15.27%)
Isotope Composition C (76.4%), H (8.33%), O (15.27%)
Donor Sites 0
Donor Count 0
Acceptor Sites 4
Acceptor Count 2


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TOPOLOGICAL PROPERTIESAtom Count49
Aliphatic Atom Count 23
Aliphatic Bond Count 27
Aromatic Bond Count 0
Asymmetric Atom Count 7
Bond Count 53
Chain Atom Count 5
Chain Bond Count 5
Chiral Center Count 7
Ring Atom Count 18
Ring Bond Count 22
Rotatable Bond Count 0
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 5

 






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