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ENAMINE-ZINC05504670

 MMsINC code: MMs01617448
Type: Neutral
Formula: C16H13ClF2N2O2
SMILES:   Clc1ccc(cc1)C(=O)N\N=C(\C)/c1ccccc1OC(F)F
InChI:   InChI=1/C16H13ClF2N2O2/c1-10(13-4-2-3-5-14(13)23-16(18)19)20-21-15(22)11-6-8-12(17)9-7-11/h2-9,16H,1H3,(H,21,22)/b20-10+

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Potential Energy
Epot(MMFF94)=110.789 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.741 g/mol  logS: -4.71285  SlogP: 4.5153  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00748764  Sterimol/B1: 2.11774  Sterimol/B2: 2.63262  Sterimol/B3: 2.64389
  Sterimol/B4: 7.59601  Sterimol/L: 17.7429 
 
 Surface and Volume Properties
  Accessible surface: 547.287  Positive charged surface: 245.215  Negative charged surface: 302.072  Volume: 290.25
  Hydrophobic surface: 421.153  Hydrophilic surface: 126.134
 
 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.