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CHEMDIV-ZINC04104233

 MMsINC code: MMs00926760
Type: Neutral
Formula: C14H15ClN2O3
SMILES:   Clc1cc(NC(=O)Cn2cccc2)c(OC)cc1OC
InChI:   InChI=1/C14H15ClN2O3/c1-19-12-8-13(20-2)11(7-10(12)15)16-14(18)9-17-5-3-4-6-17/h3-8H,9H2,1-2H3,(H,16,18)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.61 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.738 g/mol  logS: -2.55359  SlogP: 3.0638  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0446517  Sterimol/B1: 2.57278  Sterimol/B2: 3.37828  Sterimol/B3: 3.47053
  Sterimol/B4: 8.46767  Sterimol/L: 15.6305 
 
 Surface and Volume Properties
  Accessible surface: 534.35  Positive charged surface: 349.493  Negative charged surface: 184.857  Volume: 266.375
  Hydrophobic surface: 458.696  Hydrophilic surface: 75.654
 
 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.