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ENAMINE-ZINC06078692

 MMsINC code: MMs01652806
Type: Neutral
Formula: C22H16ClNOS
SMILES:   Clc1c2c(sc1C(=O)Nc1ccccc1Cc1ccccc1)cccc2
InChI:   InChI=1/C22H16ClNOS/c23-20-17-11-5-7-13-19(17)26-21(20)22(25)24-18-12-6-4-10-16(18)14-15-8-2-1-3-9-15/h1-13H,14H2,(H,24,25)

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Potential Energy
Epot(MMFF94)=94.2019 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.895 g/mol  logS: -7.54544  SlogP: 6.39777  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0869265  Sterimol/B1: 2.27245  Sterimol/B2: 2.85371  Sterimol/B3: 5.14887
  Sterimol/B4: 9.34109  Sterimol/L: 15.6602 
 
 Surface and Volume Properties
  Accessible surface: 603.275  Positive charged surface: 281.279  Negative charged surface: 315.971  Volume: 348.5
  Hydrophobic surface: 584.572  Hydrophilic surface: 18.703
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.