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PUBCHEM-ZINC00675395

 MMsINC code: MMs02725403
Type: Neutral
Formula: C16H14Cl2N2O4
SMILES:   Clc1c(noc1COc1ccccc1OCc1onc(C)c1Cl)C
InChI:   InChI=1/C16H14Cl2N2O4/c1-9-15(17)13(23-19-9)7-21-11-5-3-4-6-12(11)22-8-14-16(18)10(2)20-24-14/h3-6H,7-8H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.0066 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.204 g/mol  logS: -4.71534  SlogP: 5.27704  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0685862  Sterimol/B1: 2.38585  Sterimol/B2: 3.69258  Sterimol/B3: 4.60196
  Sterimol/B4: 10.4678  Sterimol/L: 14.8272 
 
 Surface and Volume Properties
  Accessible surface: 615.705  Positive charged surface: 277.909  Negative charged surface: 337.796  Volume: 309.375
  Hydrophobic surface: 544.637  Hydrophilic surface: 71.068
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.