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ENAMINE-ZINC05266788

 MMsINC code: MMs01605434
Type: Neutral
Formula: C16H13ClN4O3S
SMILES:   Clc1ccc(S(=O)(=O)NNC(=O)c2[nH]nc(c2)-c2ccccc2)cc1
InChI:   InChI=1/C16H13ClN4O3S/c17-12-6-8-13(9-7-12)25(23,24)21-20-16(22)15-10-14(18-19-15)11-4-2-1-3-5-11/h1-10,21H,(H,18,19)(H,20,22)

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Potential Energy
Epot(MMFF94)=90.7643 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.824 g/mol  logS: -5.27632  SlogP: 2.3534  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0222214  Sterimol/B1: 3.037  Sterimol/B2: 3.73346  Sterimol/B3: 5.15931
  Sterimol/B4: 5.29213  Sterimol/L: 18.0815 
 
 Surface and Volume Properties
  Accessible surface: 603.79  Positive charged surface: 252.505  Negative charged surface: 351.285  Volume: 314
  Hydrophobic surface: 414.967  Hydrophilic surface: 188.823
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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.