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ENAMINE-ZINC03365473

 MMsINC code: MMs01398259
Type: Neutral
Formula: C14H11ClN2O3
SMILES:   Clc1ncc(cc1)C(=O)NCc1cc2OCOc2cc1
InChI:   InChI=1/C14H11ClN2O3/c15-13-4-2-10(7-16-13)14(18)17-6-9-1-3-11-12(5-9)20-8-19-11/h1-5,7H,6,8H2,(H,17,18)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.7939 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.706 g/mol  logS: -3.04142  SlogP: 2.6601  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0662442  Sterimol/B1: 2.79383  Sterimol/B2: 3.0446  Sterimol/B3: 4.77743
  Sterimol/B4: 5.75786  Sterimol/L: 16.2558 
 
 Surface and Volume Properties
  Accessible surface: 507.988  Positive charged surface: 281.729  Negative charged surface: 226.259  Volume: 250.75
  Hydrophobic surface: 378.987  Hydrophilic surface: 129.001
 
 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.