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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.12
Van der Waals volume 338.78
Polar Surface Area 108.61
Van der Waals Surface Area 545.65
Refractivity 98.61

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ELEMENTAL PROPERTIESExact Mass 376.152
Isotope Formula C20H24O7
Dot Disconnected Formula C20H24O7
Dot Disconnected Isotope Formula C20H24O7
Composition C (63.82%), H (6.43%), O (29.75%)
Isotope Composition C (63.82%), H (6.43%), O (29.75%)
Donor Sites 4
Donor Count 4
Acceptor Sites 7
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count51
Aliphatic Atom Count 15
Aliphatic Bond Count 17
Aromatic Bond Count 12
Asymmetric Atom Count 4
Bond Count 53
Chain Atom Count 10
Chain Bond Count 12
Chiral Center Count 4
Ring Atom Count 17
Ring Bond Count 17
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 1

 






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