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CHEMBRIDGE-ZINC00270625

 MMsINC code: MMs00599175
Type: Neutral
Formula: C11H15F3NOP
SMILES:   P(=O)(Nc1cc(ccc1)C(F)(F)F)(CC)CC
InChI:   InChI=1/C11H15F3NOP/c1-3-17(16,4-2)15-10-7-5-6-9(8-10)11(12,13)14/h5-8H,3-4H2,1-2H3,(H,15,16)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.7139 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.215 g/mol  logS: -2.33438  SlogP: 3.6765  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121973  Sterimol/B1: 3.10502  Sterimol/B2: 3.12982  Sterimol/B3: 4.668
  Sterimol/B4: 4.7038  Sterimol/L: 13.9042 
 
 Surface and Volume Properties
  Accessible surface: 447.517  Positive charged surface: 211.522  Negative charged surface: 235.994  Volume: 229.375
  Hydrophobic surface: 260.717  Hydrophilic surface: 186.8
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.