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PUBCHEM-ZINC00690396

MMsINC code: MMs02728472

Type: Neutral
Formula: C18H15F4NOS
SMILES:   S1CCN(C(=O)Cc2ccc(F)cc2)C1c1ccc(cc1)C(F)(F)F
InChI:   InChI=1/C18H15F4NOS/c19-15-7-1-12(2-8-15)11-16(24)23-9-10-25-17(23)13-3-5-14(6-4-13)18(20,21)22/h1-8,17H,9-11H2/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=73.1788 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.382 g/mol  logS: -5.62737  SlogP: 5.06817  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136151  Sterimol/B1: 3.28967  Sterimol/B2: 4.20058  Sterimol/B3: 5.31504
  Sterimol/B4: 6.48242  Sterimol/L: 14.2234 
 
 Surface and Volume Properties
  Accessible surface: 568.069  Positive charged surface: 268.581  Negative charged surface: 299.488  Volume: 310
  Hydrophobic surface: 405.708  Hydrophilic surface: 162.361
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.