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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.65
Van der Waals volume 400.36
Polar Surface Area 94.83
Van der Waals Surface Area 644.4
Refractivity 110.67

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ELEMENTAL PROPERTIESExact Mass 404.256
Isotope Formula C24H36O5
Dot Disconnected Formula C24H36O5
Dot Disconnected Isotope Formula C24H36O5
Composition C (71.26%), H (8.97%), O (19.77%)
Isotope Composition C (71.26%), H (8.97%), O (19.77%)
Donor Sites 3
Donor Count 3
Acceptor Sites 7
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count65
Aliphatic Atom Count 29
Aliphatic Bond Count 32
Aromatic Bond Count 0
Asymmetric Atom Count 9
Bond Count 68
Chain Atom Count 12
Chain Bond Count 12
Chiral Center Count 9
Ring Atom Count 17
Ring Bond Count 20
Rotatable Bond Count 1
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.