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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.4
Van der Waals volume 300.53
Polar Surface Area 122.52
Van der Waals Surface Area 466.44
Refractivity 88.24

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ELEMENTAL PROPERTIESExact Mass 360.085
Isotope Formula C18H16O8
Dot Disconnected Formula C18H16O8
Dot Disconnected Isotope Formula C18H16O8
Composition C (60%), H (4.48%), O (35.52%)
Isotope Composition C (60%), H (4.48%), O (35.52%)
Donor Sites 3
Donor Count 3
Acceptor Sites 9
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count42
Aliphatic Atom Count 14
Aliphatic Bond Count 16
Aromatic Bond Count 12
Asymmetric Atom Count 2
Bond Count 44
Chain Atom Count 10
Chain Bond Count 11
Chiral Center Count 2
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 4
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 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 1

 






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