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ENAMINE-ZINC03095576

 MMsINC code: MMs01290107
Type: Neutral
Formula: C14H11ClN2O2
SMILES:   Clc1ccccc1\C=N\NC(=O)c1ccc(O)cc1
InChI:   InChI=1/C14H11ClN2O2/c15-13-4-2-1-3-11(13)9-16-17-14(19)10-5-7-12(18)8-6-10/h1-9,18H,(H,17,19)/b16-9+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.8772 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.707 g/mol  logS: -3.91049  SlogP: 2.8095  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0011964  Sterimol/B1: 2.11762  Sterimol/B2: 2.21222  Sterimol/B3: 2.88797
  Sterimol/B4: 5.25695  Sterimol/L: 17.0466 
 
 Surface and Volume Properties
  Accessible surface: 498.189  Positive charged surface: 258.252  Negative charged surface: 239.937  Volume: 246.625
  Hydrophobic surface: 381.185  Hydrophilic surface: 117.004
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.