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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.62
Van der Waals volume 596.65
Polar Surface Area 135.58
Van der Waals Surface Area 929.58
Refractivity 178.94

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ELEMENTAL PROPERTIESExact Mass 652.278
Isotope Formula C38H40N2O8
Dot Disconnected Formula C38H40N2O8
Dot Disconnected Isotope Formula C38H40N2O8
Composition C (69.92%), H (6.18%), N (4.29%), O (19.61%)
Isotope Composition C (69.92%), H (6.18%), N (4.29%), O (19.61%)
Donor Sites 4
Donor Count 4
Acceptor Sites 10
Acceptor Count 8


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TOPOLOGICAL PROPERTIESAtom Count88
Aliphatic Atom Count 24
Aliphatic Bond Count 29
Aromatic Bond Count 24
Asymmetric Atom Count 5
Bond Count 93
Chain Atom Count 18
Chain Bond Count 21
Chiral Center Count 5
Ring Atom Count 30
Ring Bond Count 32
Rotatable Bond Count 12
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 4
Carbo Ring Count 5
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 4
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 6
Smallest Ring Size 5
Smallest Ring System Size 1

 






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