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PUBCHEM-ZINC00964122

 MMsINC code: MMs02745589
Type: Neutral
Formula: C23H31FN2O2S
SMILES:   S1CC(N(C(=O)c2ccc(F)cc2)C1C1CCCCC1)C(=O)NC1CCCCC1
InChI:   InChI=1/C23H31FN2O2S/c24-18-13-11-16(12-14-18)22(28)26-20(21(27)25-19-9-5-2-6-10-19)15-29-23(26)17-7-3-1-4-8-17/h11-14,17,19-20,23H,1-10,15H2,(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)=97.2395 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.577 g/mol  logS: -6.55953  SlogP: 4.7386  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.185974  Sterimol/B1: 2.94971  Sterimol/B2: 3.43431  Sterimol/B3: 7.07113
  Sterimol/B4: 7.8012  Sterimol/L: 15.9414 
 
 Surface and Volume Properties
  Accessible surface: 643.687  Positive charged surface: 448.262  Negative charged surface: 195.425  Volume: 401.75
  Hydrophobic surface: 581.541  Hydrophilic surface: 62.146
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.