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ENAMINE-ZINC05211445

 MMsINC code: MMs01597775
Type: Neutral
Formula: C19H16ClFN2O2
SMILES:   Clc1n(nc(C)c1C(OCc1ccc(F)cc1)=O)Cc1ccccc1
InChI:   InChI=1/C19H16ClFN2O2/c1-13-17(19(24)25-12-15-7-9-16(21)10-8-15)18(20)23(22-13)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.8121 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.8 g/mol  logS: -5.28638  SlogP: 4.92212  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0593363  Sterimol/B1: 2.25159  Sterimol/B2: 3.86679  Sterimol/B3: 4.2156
  Sterimol/B4: 7.39274  Sterimol/L: 18.3015 
 
 Surface and Volume Properties
  Accessible surface: 619.586  Positive charged surface: 311.741  Negative charged surface: 307.845  Volume: 326.375
  Hydrophobic surface: 562.149  Hydrophilic surface: 57.437
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.