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AURORAFEINCHEMIE-ZINC05277664

 MMsINC code: MMs00473460
Type: Neutral
Formula: C16H15ClN2O3
SMILES:   Clc1ccccc1NC(=O)NC(Cc1ccccc1)C(O)=O
InChI:   InChI=1/C16H15ClN2O3/c17-12-8-4-5-9-13(12)18-16(22)19-14(15(20)21)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,20,21)(H2,18,19,22)/t14-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.7029 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.76 g/mol  logS: -3.98769  SlogP: 3.15737  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111633  Sterimol/B1: 2.52373  Sterimol/B2: 3.33482  Sterimol/B3: 4.39639
  Sterimol/B4: 9.1749  Sterimol/L: 13.7421 
 
 Surface and Volume Properties
  Accessible surface: 550.662  Positive charged surface: 278.672  Negative charged surface: 271.99  Volume: 285.75
  Hydrophobic surface: 425.286  Hydrophilic surface: 125.376
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs00473461
AURORAFEINCHEMIE-ZINC05277664