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CHEMSTAR-ZINC01200323

 MMsINC code: MMs01077697
Type: Neutral
Formula: C20H14ClN3OS
SMILES:   Clc1cccnc1NC(=O)c1cc(nc2c1cccc2)-c1sc(cc1)C
InChI:   InChI=1/C20H14ClN3OS/c1-12-8-9-18(26-12)17-11-14(13-5-2-3-7-16(13)23-17)20(25)24-19-15(21)6-4-10-22-19/h2-11H,1H3,(H,22,24,25)

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Potential Energy
Epot(MMFF94)=95.2412 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.871 g/mol  logS: -6.06194  SlogP: 5.57242  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00317274  Sterimol/B1: 2.32928  Sterimol/B2: 2.34552  Sterimol/B3: 2.51561
  Sterimol/B4: 11.1714  Sterimol/L: 16.3691 
 
 Surface and Volume Properties
  Accessible surface: 610.269  Positive charged surface: 309.799  Negative charged surface: 294.877  Volume: 338.5
  Hydrophobic surface: 549.742  Hydrophilic surface: 60.527
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.