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CHEMBRIDGE-ZINC02893383

 MMsINC code: MMs00737185
Type: Neutral
Formula: C15H13Cl2NO3
SMILES:   Clc1cc(NC(OCCOc2ccccc2)=O)ccc1Cl
InChI:   InChI=1/C15H13Cl2NO3/c16-13-7-6-11(10-14(13)17)18-15(19)21-9-8-20-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,19)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.1601 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.179 g/mol  logS: -4.97709  SlogP: 4.6209  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0479435  Sterimol/B1: 3.08165  Sterimol/B2: 3.43343  Sterimol/B3: 3.83592
  Sterimol/B4: 4.74866  Sterimol/L: 19.2168 
 
 Surface and Volume Properties
  Accessible surface: 576.901  Positive charged surface: 283.976  Negative charged surface: 292.925  Volume: 281.875
  Hydrophobic surface: 510.746  Hydrophilic surface: 66.155
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.