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PUBCHEM-ZINC00583104

 MMsINC code: MMs02710247
Type: Neutral
Formula: C15H12Cl2N2O2
SMILES:   Clc1cc(Cl)ccc1C(=O)N\N=C\c1cc(ccc1O)C
InChI:   InChI=1/C15H12Cl2N2O2/c1-9-2-5-14(20)10(6-9)8-18-19-15(21)12-4-3-11(16)7-13(12)17/h2-8,20H,1H3,(H,19,21)/b18-8+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=95.7084 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.179 g/mol  logS: -5.1187  SlogP: 3.77132  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00349999  Sterimol/B1: 2.12498  Sterimol/B2: 2.50594  Sterimol/B3: 2.69168
  Sterimol/B4: 6.33603  Sterimol/L: 18.2558 
 
 Surface and Volume Properties
  Accessible surface: 544.406  Positive charged surface: 260.28  Negative charged surface: 284.126  Volume: 280.75
  Hydrophobic surface: 449.324  Hydrophilic surface: 95.082
 
 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.