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PUBCHEM-ZINC00375618

 MMsINC code: MMs02667014
Type: Neutral
Formula: C12H9ClFNO2
SMILES:   Clc1cc(NC(=O)c2oc(cc2)C)ccc1F
InChI:   InChI=1/C12H9ClFNO2/c1-7-2-5-11(17-7)12(16)15-8-3-4-10(14)9(13)6-8/h2-6H,1H3,(H,15,16)

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Potential Energy
Epot(MMFF94)=44.1401 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.66 g/mol  logS: -4.4491  SlogP: 3.63282  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0216016  Sterimol/B1: 2.58337  Sterimol/B2: 2.66228  Sterimol/B3: 3.0332
  Sterimol/B4: 5.63827  Sterimol/L: 14.7251 
 
 Surface and Volume Properties
  Accessible surface: 454.391  Positive charged surface: 209.118  Negative charged surface: 245.272  Volume: 217.125
  Hydrophobic surface: 402.943  Hydrophilic surface: 51.448
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.