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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.66
Van der Waals volume 343.84
Polar Surface Area 80.67
Van der Waals Surface Area 544.48
Refractivity 99.02

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ELEMENTAL PROPERTIESExact Mass 360.194
Isotope Formula C21H28O5
Dot Disconnected Formula C21H28O5
Dot Disconnected Isotope Formula C21H28O5
Composition C (69.98%), H (7.83%), O (22.19%)
Isotope Composition C (69.98%), H (7.83%), O (22.19%)
Donor Sites 1
Donor Count 1
Acceptor Sites 7
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count54
Aliphatic Atom Count 26
Aliphatic Bond Count 28
Aromatic Bond Count 0
Asymmetric Atom Count 3
Bond Count 56
Chain Atom Count 13
Chain Bond Count 13
Chiral Center Count 3
Ring Atom Count 13
Ring Bond Count 15
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 0
Carbo Ring Count 3
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
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.