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CHEMBRIDGE-ZINC04749303

 MMsINC code: MMs00783176
Type: Neutral
Formula: C9H10Cl2N2OS
SMILES:   ClC1(Cl)CC1(C(=O)Nc1scc(n1)C)C
InChI:   InChI=1/C9H10Cl2N2OS/c1-5-3-15-7(12-5)13-6(14)8(2)4-9(8,10)11/h3H,4H2,1-2H3,(H,12,13,14)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=29.9412 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.164 g/mol  logS: -3.26711  SlogP: 3.39382  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0582858  Sterimol/B1: 2.87257  Sterimol/B2: 3.32818  Sterimol/B3: 3.92949
  Sterimol/B4: 4.58241  Sterimol/L: 13.6124 
 
 Surface and Volume Properties
  Accessible surface: 448.282  Positive charged surface: 187.694  Negative charged surface: 260.588  Volume: 217.375
  Hydrophobic surface: 256.759  Hydrophilic surface: 191.523
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.