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PUBCHEM-ZINC02970550

 MMsINC code: MMs02969459
Type: Neutral
Formula: C22H14ClNOS
SMILES:   Clc1c2c(sc1C(=O)Nc1cc3Cc4c(-c3cc1)cccc4)cccc2
InChI:   InChI=1/C22H14ClNOS/c23-20-18-7-3-4-8-19(18)26-21(20)22(25)24-15-9-10-17-14(12-15)11-13-5-1-2-6-16(13)17/h1-10,12H,11H2,(H,24,25)

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Potential Energy
Epot(MMFF94)=98.8336 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.879 g/mol  logS: -8.63977  SlogP: 6.37817  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00882134  Sterimol/B1: 2.80927  Sterimol/B2: 3.08254  Sterimol/B3: 3.72181
  Sterimol/B4: 5.23841  Sterimol/L: 20.0984 
 
 Surface and Volume Properties
  Accessible surface: 611.153  Positive charged surface: 283.48  Negative charged surface: 311.648  Volume: 340.125
  Hydrophobic surface: 579.056  Hydrophilic surface: 32.097
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.