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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.24
Van der Waals volume 370.42
Polar Surface Area 99.13
Van der Waals Surface Area 574.25
Refractivity 113

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ELEMENTAL PROPERTIESExact Mass 424.152
Isotope Formula C24H24O7
Dot Disconnected Formula C24H24O7
Dot Disconnected Isotope Formula C24H24O7
Composition C (67.91%), H (5.7%), O (26.39%)
Isotope Composition C (67.91%), H (5.7%), O (26.39%)
Donor Sites 1
Donor Count 1
Acceptor Sites 9
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count55
Aliphatic Atom Count 21
Aliphatic Bond Count 24
Aromatic Bond Count 11
Asymmetric Atom Count 3
Bond Count 59
Chain Atom Count 10
Chain Bond Count 10
Chiral Center Count 3
Ring Atom Count 21
Ring Bond Count 25
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 2
Fused Ring Count 5
Hetero Ring Count 3
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 5

 






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