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ENAMINE-ZINC02652806

 MMsINC code: MMs01276578
Type: Neutral
Formula: C15H13ClF2N2O2
SMILES:   Clc1cc(NC(=O)Nc2cc(ccc2)C)ccc1OC(F)F
InChI:   InChI=1/C15H13ClF2N2O2/c1-9-3-2-4-10(7-9)19-15(21)20-11-5-6-13(12(16)8-11)22-14(17)18/h2-8,14H,1H3,(H2,19,20,21)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.5705 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.73 g/mol  logS: -4.59451  SlogP: 5.31372  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0608698  Sterimol/B1: 2.27846  Sterimol/B2: 2.99866  Sterimol/B3: 4.56458
  Sterimol/B4: 6.44665  Sterimol/L: 15.7986 
 
 Surface and Volume Properties
  Accessible surface: 551.428  Positive charged surface: 276.145  Negative charged surface: 275.283  Volume: 275.125
  Hydrophobic surface: 408.755  Hydrophilic surface: 142.673
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.