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ENAMINE-ZINC03367089

 MMsINC code: MMs01399286
Type: Neutral
Formula: C13H9ClF2N2O2
SMILES:   Clc1cc(NC(=O)c2ccncc2)ccc1OC(F)F
InChI:   InChI=1/C13H9ClF2N2O2/c14-10-7-9(1-2-11(10)20-13(15)16)18-12(19)8-3-5-17-6-4-8/h1-7,13H,(H,18,19)

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Potential Energy
Epot(MMFF94)=73.9894 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.676 g/mol  logS: -2.96527  SlogP: 4.0086  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0193986  Sterimol/B1: 2.79253  Sterimol/B2: 2.97546  Sterimol/B3: 2.99511
  Sterimol/B4: 6.21338  Sterimol/L: 15.6678 
 
 Surface and Volume Properties
  Accessible surface: 480.375  Positive charged surface: 245.955  Negative charged surface: 234.42  Volume: 240.75
  Hydrophobic surface: 343.496  Hydrophilic surface: 136.879
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.