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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.54
Van der Waals volume 548.19
Polar Surface Area 107.22
Van der Waals Surface Area 915.56
Refractivity 146.41

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ELEMENTAL PROPERTIESExact Mass 534.392
Isotope Formula C32H54O6
Dot Disconnected Formula C32H54O6
Dot Disconnected Isotope Formula C32H54O6
Composition C (71.87%), H (10.18%), O (17.95%)
Isotope Composition C (71.87%), H (10.18%), O (17.95%)
Donor Sites 4
Donor Count 4
Acceptor Sites 6
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count92
Aliphatic Atom Count 38
Aliphatic Bond Count 42
Aromatic Bond Count 0
Asymmetric Atom Count 12
Bond Count 96
Chain Atom Count 20
Chain Bond Count 20
Chiral Center Count 12
Ring Atom Count 18
Ring Bond Count 22
Rotatable Bond Count 7
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 0
Carbo Ring Count 5
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 5
Smallest Ring Size 3
Smallest Ring System Size 5

 






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