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CHEMBRIDGE-ZINC04824765

 MMsINC code: MMs00793784
Type: Neutral
Formula: C17H15ClN2O4
SMILES:   Clc1cc(NC(=O)c2ccc(NC(=O)CC)cc2)c(cc1)C(O)=O
InChI:   InChI=1/C17H15ClN2O4/c1-2-15(21)19-12-6-3-10(4-7-12)16(22)20-14-9-11(18)5-8-13(14)17(23)24/h3-9H,2H2,1H3,(H,19,21)(H,20,22)(H,23,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.8866 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.77 g/mol  logS: -4.46978  SlogP: 3.639  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0111459  Sterimol/B1: 2.52533  Sterimol/B2: 2.81345  Sterimol/B3: 4.09823
  Sterimol/B4: 6.45629  Sterimol/L: 18.3201 
 
 Surface and Volume Properties
  Accessible surface: 588.843  Positive charged surface: 318.864  Negative charged surface: 269.98  Volume: 306.25
  Hydrophobic surface: 407.888  Hydrophilic surface: 180.955
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs00793785
CHEMBRIDGE-ZINC04824765