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PUBCHEM-ZINC04374779

 MMsINC code: MMs03117507
Type: Neutral
Formula: C23H33FN2O2S
SMILES:   S1CC(N(C(=O)c2ccc(F)cc2)C1C1CCCCC1)C(=O)NCCCCCC
InChI:   InChI=1/C23H33FN2O2S/c1-2-3-4-8-15-25-21(27)20-16-29-23(18-9-6-5-7-10-18)26(20)22(28)17-11-13-19(24)14-12-17/h11-14,18,20,23H,2-10,15-16H2,1H3,(H,25,27)/t20-,23+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=104.523 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.593 g/mol  logS: -7.16303  SlogP: 4.9862  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0680205  Sterimol/B1: 4.16788  Sterimol/B2: 4.45371  Sterimol/B3: 5.00267
  Sterimol/B4: 5.67566  Sterimol/L: 20.0368 
 
 Surface and Volume Properties
  Accessible surface: 704.429  Positive charged surface: 488.782  Negative charged surface: 215.646  Volume: 415.125
  Hydrophobic surface: 599.084  Hydrophilic surface: 105.345
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.