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PUBCHEM-ZINC01325370

 MMsINC code: MMs02796969
Type: Neutral
Formula: C17H24FN3O4S
SMILES:   S(=O)(=O)(N1CCC(NC(=O)C(NC(=O)C)Cc2ccc(F)cc2)CC1)C
InChI:   InChI=1/C17H24FN3O4S/c1-12(22)19-16(11-13-3-5-14(18)6-4-13)17(23)20-15-7-9-21(10-8-15)26(2,24)25/h3-6,15-16H,7-11H2,1-2H3,(H,19,22)(H,20,23)/t16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.1029 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.46 g/mol  logS: -2.50381  SlogP: 0.41307  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0436733  Sterimol/B1: 2.3058  Sterimol/B2: 3.41028  Sterimol/B3: 3.85626
  Sterimol/B4: 8.75629  Sterimol/L: 19.042 
 
 Surface and Volume Properties
  Accessible surface: 626.649  Positive charged surface: 379.32  Negative charged surface: 247.329  Volume: 344
  Hydrophobic surface: 502.636  Hydrophilic surface: 124.013
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.