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CHEMBLOCK-ZINC03672493

 MMsINC code: MMs00540318
Type: Neutral
Formula: C10H12Cl3NO2S
SMILES:   Clc1cc(Cl)c(Cl)cc1S(=O)(=O)NCCCC
InChI:   InChI=1/C10H12Cl3NO2S/c1-2-3-4-14-17(15,16)10-6-8(12)7(11)5-9(10)13/h5-6,14H,2-4H2,1H3

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Potential Energy
Epot(MMFF94)=29.5658 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.636 g/mol  logS: -4.46993  SlogP: 3.7252  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0749167  Sterimol/B1: 3.12695  Sterimol/B2: 4.10835  Sterimol/B3: 4.44388
  Sterimol/B4: 5.52564  Sterimol/L: 14.5289 
 
 Surface and Volume Properties
  Accessible surface: 474.559  Positive charged surface: 196.093  Negative charged surface: 278.466  Volume: 246.25
  Hydrophobic surface: 370.62  Hydrophilic surface: 103.939
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.