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ENAMINE-ZINC05637719

 MMsINC code: MMs01630364
Type: Neutral
Formula: C15H12Cl2FN3O3
SMILES:   Clc1cc(cnc1Cl)C(=O)NNC(=O)C(Oc1ccccc1F)C
InChI:   InChI=1/C15H12Cl2FN3O3/c1-8(24-12-5-3-2-4-11(12)18)14(22)20-21-15(23)9-6-10(16)13(17)19-7-9/h2-8H,1H3,(H,20,22)(H,21,23)/t8-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=109.232 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.183 g/mol  logS: -4.80411  SlogP: 2.756  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0276558  Sterimol/B1: 2.40593  Sterimol/B2: 2.44099  Sterimol/B3: 4.55202
  Sterimol/B4: 5.48868  Sterimol/L: 19.501 
 
 Surface and Volume Properties
  Accessible surface: 591.632  Positive charged surface: 253.664  Negative charged surface: 337.967  Volume: 299.75
  Hydrophobic surface: 446.109  Hydrophilic surface: 145.523
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.