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PUBCHEM-ZINC01120105

 MMsINC code: MMs02774109
Type: Neutral
Formula: C16H16ClFN2O4
SMILES:   Clc1cc(NC(=O)Nc2cc(OC)c(OC)c(OC)c2)ccc1F
InChI:   InChI=1/C16H16ClFN2O4/c1-22-13-7-10(8-14(23-2)15(13)24-3)20-16(21)19-9-4-5-12(18)11(17)6-9/h4-8H,1-3H3,(H2,19,20,21)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.159 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.765 g/mol  logS: -4.43246  SlogP: 4.1489  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0486373  Sterimol/B1: 1.969  Sterimol/B2: 3.9572  Sterimol/B3: 3.97419
  Sterimol/B4: 8.95334  Sterimol/L: 16.6938 
 
 Surface and Volume Properties
  Accessible surface: 597.527  Positive charged surface: 402.637  Negative charged surface: 194.89  Volume: 304.75
  Hydrophobic surface: 520.805  Hydrophilic surface: 76.722
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.