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CHEMDIV-ZINC05036528

 MMsINC code: MMs00982231
Type: Neutral
Formula: C15H13ClN2OS
SMILES:   Clc1sc2cc(n(c2c1)C)C(=O)NCc1ccccc1
InChI:   InChI=1/C15H13ClN2OS/c1-18-11-8-14(16)20-13(11)7-12(18)15(19)17-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,17,19)

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Potential Energy
Epot(MMFF94)=26.7001 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.801 g/mol  logS: -4.30384  SlogP: 4.4488  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0544589  Sterimol/B1: 2.10502  Sterimol/B2: 3.63852  Sterimol/B3: 3.74005
  Sterimol/B4: 7.25718  Sterimol/L: 16.9573 
 
 Surface and Volume Properties
  Accessible surface: 532.172  Positive charged surface: 262.529  Negative charged surface: 269.642  Volume: 275.25
  Hydrophobic surface: 485.383  Hydrophilic surface: 46.789
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.