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AURORAFEINCHEMIE-ZINC06551527

 MMsINC code: MMs00477036
Type: Neutral
Formula: C20H23ClN2O3
SMILES:   Clc1ccccc1CNC(=O)C(NC(=O)c1ccc(OC)cc1)C(C)C
InChI:   InChI=1/C20H23ClN2O3/c1-13(2)18(20(25)22-12-15-6-4-5-7-17(15)21)23-19(24)14-8-10-16(26-3)11-9-14/h4-11,13,18H,12H2,1-3H3,(H,22,25)(H,23,24)/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.8537 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.868 g/mol  logS: -4.9869  SlogP: 3.6858  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0691424  Sterimol/B1: 2.20879  Sterimol/B2: 3.7897  Sterimol/B3: 5.53771
  Sterimol/B4: 7.10055  Sterimol/L: 20.2314 
 
 Surface and Volume Properties
  Accessible surface: 649.174  Positive charged surface: 377.967  Negative charged surface: 271.207  Volume: 358.75
  Hydrophobic surface: 543.931  Hydrophilic surface: 105.243
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.