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ENAMINE-ZINC03463635

 MMsINC code: MMs01458421
Type: Neutral
Formula: C18H24N2O2S
SMILES:   S(C)c1ccc(cc1)CN1C(=O)C2(NC1=O)CCCCCCC2
InChI:   InChI=1/C18H24N2O2S/c1-23-15-9-7-14(8-10-15)13-20-16(21)18(19-17(20)22)11-5-3-2-4-6-12-18/h7-10H,2-6,11-13H2,1H3,(H,19,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.4232 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.468 g/mol  logS: -5.32537  SlogP: 4.2098  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126689  Sterimol/B1: 2.1454  Sterimol/B2: 3.88679  Sterimol/B3: 4.1946
  Sterimol/B4: 7.63789  Sterimol/L: 15.2392 
 
 Surface and Volume Properties
  Accessible surface: 558.375  Positive charged surface: 352.794  Negative charged surface: 205.581  Volume: 321.875
  Hydrophobic surface: 436.826  Hydrophilic surface: 121.549
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.