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MAYBRIDGE-ZINC00093248

 MMsINC code: MMs02130637
Type: Neutral
Formula: C16H15ClN2O4
SMILES:   Clc1cc(Oc2ccc(NC(=O)C)cc2C(OCC)=O)cnc1
InChI:   InChI=1/C16H15ClN2O4/c1-3-22-16(21)14-7-12(19-10(2)20)4-5-15(14)23-13-6-11(17)8-18-9-13/h4-9H,3H2,1-2H3,(H,19,20)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.7314 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.759 g/mol  logS: -3.56213  SlogP: 3.6624  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0641775  Sterimol/B1: 2.54623  Sterimol/B2: 3.77805  Sterimol/B3: 4.4295
  Sterimol/B4: 10.1123  Sterimol/L: 14.6738 
 
 Surface and Volume Properties
  Accessible surface: 594.536  Positive charged surface: 368.792  Negative charged surface: 225.743  Volume: 296.625
  Hydrophobic surface: 468.783  Hydrophilic surface: 125.753
 
 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.