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ENAMINE-ZINC05869084

 MMsINC code: MMs01643975
Type: Neutral
Formula: C19H20ClNO3
SMILES:   Clc1cc(OCC(=O)c2ccc(NC(=O)CC(C)C)cc2)ccc1
InChI:   InChI=1/C19H20ClNO3/c1-13(2)10-19(23)21-16-8-6-14(7-9-16)18(22)12-24-17-5-3-4-15(20)11-17/h3-9,11,13H,10,12H2,1-2H3,(H,21,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.7467 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.826 g/mol  logS: -5.71046  SlogP: 4.5863  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0108896  Sterimol/B1: 2.53815  Sterimol/B2: 3.25671  Sterimol/B3: 3.77913
  Sterimol/B4: 7.62987  Sterimol/L: 19.6327 
 
 Surface and Volume Properties
  Accessible surface: 632.206  Positive charged surface: 348.67  Negative charged surface: 283.536  Volume: 330.125
  Hydrophobic surface: 510.635  Hydrophilic surface: 121.571
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.