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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.4
Van der Waals volume 422.36
Polar Surface Area 142.37
Van der Waals Surface Area 672.21
Refractivity 125.3

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ELEMENTAL PROPERTIESExact Mass 512.132
Isotope Formula C26H24O11
Dot Disconnected Formula C26H24O11
Dot Disconnected Isotope Formula C26H24O11
Composition C (60.94%), H (4.72%), O (34.34%)
Isotope Composition C (60.94%), H (4.72%), O (34.34%)
Donor Sites 3
Donor Count 3
Acceptor Sites 11
Acceptor Count 10


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TOPOLOGICAL PROPERTIESAtom Count61
Aliphatic Atom Count 21
Aliphatic Bond Count 25
Aromatic Bond Count 17
Asymmetric Atom Count 3
Bond Count 66
Chain Atom Count 10
Chain Bond Count 12
Chiral Center Count 3
Ring Atom Count 27
Ring Bond Count 30
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 3
Carbo Ring Count 3
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 3
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 5
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
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.