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CHEMDIV-ZINC04885863

 MMsINC code: MMs00961339
Type: Neutral
Formula: C19H12ClFN2OS
SMILES:   Clc1cc(NC(=O)c2sc3nc4cc(ccc4cc3c2)C)ccc1F
InChI:   InChI=1/C19H12ClFN2OS/c1-10-2-3-11-7-12-8-17(25-19(12)23-16(11)6-10)18(24)22-13-4-5-15(21)14(20)9-13/h2-9H,1H3,(H,22,24)

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Potential Energy
Epot(MMFF94)=82.7564 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.835 g/mol  logS: -7.86445  SlogP: 5.80272  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00885454  Sterimol/B1: 2.71033  Sterimol/B2: 2.83823  Sterimol/B3: 3.03505
  Sterimol/B4: 5.54377  Sterimol/L: 19.9082 
 
 Surface and Volume Properties
  Accessible surface: 592.367  Positive charged surface: 252.48  Negative charged surface: 329.859  Volume: 316.375
  Hydrophobic surface: 521.299  Hydrophilic surface: 71.068
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.