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ENAMINE-ZINC05556940

 MMsINC code: MMs01621261
Type: Neutral
Formula: C14H10Cl2N2O3
SMILES:   Clc1cc(cnc1Cl)C(=O)Nc1cc2OCCOc2cc1
InChI:   InChI=1/C14H10Cl2N2O3/c15-10-5-8(7-17-13(10)16)14(19)18-9-1-2-11-12(6-9)21-4-3-20-11/h1-2,5-7H,3-4H2,(H,18,19)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.3263 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.151 g/mol  logS: -4.12617  SlogP: 3.4119  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0159909  Sterimol/B1: 2.27463  Sterimol/B2: 2.39551  Sterimol/B3: 3.15879
  Sterimol/B4: 6.52843  Sterimol/L: 17.4064 
 
 Surface and Volume Properties
  Accessible surface: 516.116  Positive charged surface: 271.545  Negative charged surface: 244.571  Volume: 264.125
  Hydrophobic surface: 433.331  Hydrophilic surface: 82.785
 
 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.