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CHEMDIV-ZINC03908356

 MMsINC code: MMs00920165
Type: Neutral
Formula: C18H15ClN2O4
SMILES:   Clc1cc(NC(=O)c2noc(c2)-c2cc(OC)ccc2OC)ccc1
InChI:   InChI=1/C18H15ClN2O4/c1-23-13-6-7-16(24-2)14(9-13)17-10-15(21-25-17)18(22)20-12-5-3-4-11(19)8-12/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)=107.705 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.781 g/mol  logS: -5.38437  SlogP: 4.2645  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0397491  Sterimol/B1: 2.5215  Sterimol/B2: 3.59308  Sterimol/B3: 5.18334
  Sterimol/B4: 8.58931  Sterimol/L: 18.3785 
 
 Surface and Volume Properties
  Accessible surface: 619.265  Positive charged surface: 362.601  Negative charged surface: 256.663  Volume: 318.75
  Hydrophobic surface: 528.328  Hydrophilic surface: 90.937
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.