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ENAMINE-ZINC06943251

 MMsINC code: MMs01715512
Type: Neutral
Formula: C17H18FNOS
SMILES:   s1c2CCCCCc2cc1C(=O)NCc1ccccc1F
InChI:   InChI=1/C17H18FNOS/c18-14-8-5-4-7-13(14)11-19-17(20)16-10-12-6-2-1-3-9-15(12)21-16/h4-5,7-8,10H,1-3,6,9,11H2,(H,19,20)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.172 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 303.401 g/mol  logS: -5.00459  SlogP: 4.35244  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0544893  Sterimol/B1: 2.39431  Sterimol/B2: 3.76081  Sterimol/B3: 4.95574
  Sterimol/B4: 5.09037  Sterimol/L: 16.1972 
 
 Surface and Volume Properties
  Accessible surface: 544.624  Positive charged surface: 327.863  Negative charged surface: 216.761  Volume: 287.875
  Hydrophobic surface: 495.112  Hydrophilic surface: 49.512
 
 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.