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ENAMINE-ZINC05637130

 MMsINC code: MMs01630054
Type: Neutral
Formula: C13H13ClN2O2
SMILES:   Clc1cc(ccc1NC(=O)c1c(noc1C)C)C
InChI:   InChI=1/C13H13ClN2O2/c1-7-4-5-11(10(14)6-7)15-13(17)12-8(2)16-18-9(12)3/h4-6H,1-3H3,(H,15,17)

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Potential Energy
Epot(MMFF94)=69.2547 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.712 g/mol  logS: -3.83621  SlogP: 3.50556  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.083397  Sterimol/B1: 2.98731  Sterimol/B2: 4.55005  Sterimol/B3: 4.59408
  Sterimol/B4: 4.69449  Sterimol/L: 13.9375 
 
 Surface and Volume Properties
  Accessible surface: 485.856  Positive charged surface: 233.466  Negative charged surface: 252.39  Volume: 242.875
  Hydrophobic surface: 431.31  Hydrophilic surface: 54.546
 
 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.