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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.93
Van der Waals volume 319.94
Polar Surface Area 139.59
Van der Waals Surface Area 494.35
Refractivity 97.5

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ELEMENTAL PROPERTIESExact Mass 388.079
Isotope Formula C19H16O9
Dot Disconnected Formula C19H16O9
Dot Disconnected Isotope Formula C19H16O9
Composition C (58.77%), H (4.15%), O (37.08%)
Isotope Composition C (58.77%), H (4.15%), O (37.08%)
Donor Sites 3
Donor Count 3
Acceptor Sites 10
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count44
Aliphatic Atom Count 16
Aliphatic Bond Count 18
Aromatic Bond Count 12
Asymmetric Atom Count 0
Bond Count 46
Chain Atom Count 13
Chain Bond Count 13
Chiral Center Count 0
Ring Atom Count 15
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 3
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 7
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 3

 






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