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ENAMINE-ZINC06787275

 MMsINC code: MMs01697164
Type: Neutral
Formula: C18H14ClN3O2S
SMILES:   Clc1ccc(cc1NC(=O)c1sccc1)C(=O)Nc1ncccc1C
InChI:   InChI=1/C18H14ClN3O2S/c1-11-4-2-8-20-16(11)22-17(23)12-6-7-13(19)14(10-12)21-18(24)15-5-3-9-25-15/h2-10H,1H3,(H,21,24)(H,20,22,23)

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Potential Energy
Epot(MMFF94)=86.7381 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.848 g/mol  logS: -5.07941  SlogP: 4.60952  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00821078  Sterimol/B1: 2.55121  Sterimol/B2: 3.11159  Sterimol/B3: 4.67248
  Sterimol/B4: 6.60724  Sterimol/L: 18.7337 
 
 Surface and Volume Properties
  Accessible surface: 606.628  Positive charged surface: 291.944  Negative charged surface: 314.684  Volume: 324.5
  Hydrophobic surface: 522.096  Hydrophilic surface: 84.532
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.