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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -0.19
Van der Waals volume 193.44
Polar Surface Area 86.72
Van der Waals Surface Area 309.24
Refractivity 64.61

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ELEMENTAL PROPERTIESExact Mass 219.112
Isotope Formula C10H13N5O
Dot Disconnected Formula C10H13N5O
Dot Disconnected Isotope Formula C10H13N5O
Composition C (54.78%), H (5.98%), N (31.94%), O (7.3%)
Isotope Composition C (54.78%), H (5.98%), N (31.94%), O (7.3%)
Donor Sites 3
Donor Count 3
Acceptor Sites 5
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count29
Aliphatic Atom Count 7
Aliphatic Bond Count 7
Aromatic Bond Count 10
Asymmetric Atom Count 0
Bond Count 30
Chain Atom Count 7
Chain Bond Count 7
Chiral Center Count 0
Ring Atom Count 9
Ring Bond Count 10
Rotatable Bond Count 4
Stereo Double Bond Count 1
Aliphatic Ring Count 0
Aromatic Ring Count 2
Carbo Ring Count 0
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 2
Hetero Ring Count 2
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 2
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 2
Smallest Ring Size 5
Smallest Ring System Size 2

 






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