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CHEMDIV-ZINC00423727

 MMsINC code: MMs00850584
Type: Neutral
Formula: C18H15ClN2O3
SMILES:   Clc1cccc(NC(=O)c2noc(c2)-c2ccccc2OC)c1C
InChI:   InChI=1/C18H15ClN2O3/c1-11-13(19)7-5-8-14(11)20-18(22)15-10-17(24-21-15)12-6-3-4-9-16(12)23-2/h3-10H,1-2H3,(H,20,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=106.696 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.782 g/mol  logS: -5.49446  SlogP: 4.56432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0589809  Sterimol/B1: 2.28845  Sterimol/B2: 3.23388  Sterimol/B3: 5.45325
  Sterimol/B4: 5.94037  Sterimol/L: 18.1795 
 
 Surface and Volume Properties
  Accessible surface: 587.827  Positive charged surface: 322.006  Negative charged surface: 265.822  Volume: 307.75
  Hydrophobic surface: 519.093  Hydrophilic surface: 68.734
 
 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.