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NCID-ZINC01662387

 MMsINC code: MMs02299182
Type: Neutral
Formula: C10H15FNO3P
SMILES:   P(OCC)(OCC)(=O)Nc1ccc(F)cc1
InChI:   InChI=1/C10H15FNO3P/c1-3-14-16(13,15-4-2)12-10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3,(H,12,13)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-5.35647 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.206 g/mol  logS: -2.08193  SlogP: 2.3485  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.287666  Sterimol/B1: 3.1814  Sterimol/B2: 3.82977  Sterimol/B3: 4.71355
  Sterimol/B4: 7.05612  Sterimol/L: 12.0463 
 
 Surface and Volume Properties
  Accessible surface: 463.634  Positive charged surface: 292.853  Negative charged surface: 170.781  Volume: 224.25
  Hydrophobic surface: 362.405  Hydrophilic surface: 101.229
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.