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PUBCHEM-ZINC05816783

 MMsINC code: MMs03395876
Type: Neutral
Formula: C15H13ClN2O3
SMILES:   Clc1cc(ccc1)C(=O)N\N=C(/C)\c1ccc(O)cc1O
InChI:   InChI=1/C15H13ClN2O3/c1-9(13-6-5-12(19)8-14(13)20)17-18-15(21)10-3-2-4-11(16)7-10/h2-8,19-20H,1H3,(H,18,21)/b17-9-

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.7518 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.733 g/mol  logS: -3.8547  SlogP: 2.9052  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0803864  Sterimol/B1: 2.35226  Sterimol/B2: 2.9832  Sterimol/B3: 4.38212
  Sterimol/B4: 8.25653  Sterimol/L: 13.0007 
 
 Surface and Volume Properties
  Accessible surface: 525.887  Positive charged surface: 267.363  Negative charged surface: 258.524  Volume: 271.375
  Hydrophobic surface: 376.392  Hydrophilic surface: 149.495
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.