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NCID-ZINC01689075

 MMsINC code: MMs02321648
Type: Neutral
Formula: C9H11ClN2O2
SMILES:   Clc1ccc(nc1)NC(OC(C)C)=O
InChI:   InChI=1/C9H11ClN2O2/c1-6(2)14-9(13)12-8-4-3-7(10)5-11-8/h3-6H,1-2H3,(H,11,12,13)

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Potential Energy
Epot(MMFF94)=15.2862 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.652 g/mol  logS: -2.10562  SlogP: 2.6919  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0517485  Sterimol/B1: 2.21434  Sterimol/B2: 3.03007  Sterimol/B3: 4.27444
  Sterimol/B4: 4.64523  Sterimol/L: 14.3342 
 
 Surface and Volume Properties
  Accessible surface: 425.832  Positive charged surface: 249.024  Negative charged surface: 176.809  Volume: 194.375
  Hydrophobic surface: 310.257  Hydrophilic surface: 115.575
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.