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ENAMINE-ZINC06590481

 MMsINC code: MMs01681695
Type: Neutral
Formula: C23H22N2O2S
SMILES:   s1cccc1C(=O)NC(Cc1ccccc1)C(=O)N1CCCc2c1cccc2
InChI:   InChI=1/C23H22N2O2S/c26-22(21-13-7-15-28-21)24-19(16-17-8-2-1-3-9-17)23(27)25-14-6-11-18-10-4-5-12-20(18)25/h1-5,7-10,12-13,15,19H,6,11,14,16H2,(H,24,26)/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=109.902 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.507 g/mol  logS: -5.44313  SlogP: 4.06854  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0815537  Sterimol/B1: 2.83563  Sterimol/B2: 3.0279  Sterimol/B3: 4.52166
  Sterimol/B4: 9.31986  Sterimol/L: 16.4101 
 
 Surface and Volume Properties
  Accessible surface: 624.97  Positive charged surface: 349.461  Negative charged surface: 275.509  Volume: 370.25
  Hydrophobic surface: 583.884  Hydrophilic surface: 41.086
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.