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AURORAFEINCHEMIE-ZINC06779552

 MMsINC code: MMs00481323
Type: Neutral
Formula: C20H23ClN2O3
SMILES:   Clc1cc(ccc1)CNC(=O)C(NC(=O)c1ccc(OC)cc1)C(C)C
InChI:   InChI=1/C20H23ClN2O3/c1-13(2)18(20(25)22-12-14-5-4-6-16(21)11-14)23-19(24)15-7-9-17(26-3)10-8-15/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)=81.6742 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: 0.0711705  Sterimol/B1: 2.48439  Sterimol/B2: 4.17956  Sterimol/B3: 4.2187
  Sterimol/B4: 7.73726  Sterimol/L: 20.1027 
 
 Surface and Volume Properties
  Accessible surface: 656.676  Positive charged surface: 381.89  Negative charged surface: 274.786  Volume: 358.625
  Hydrophobic surface: 545.319  Hydrophilic surface: 111.357
 
 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.