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NCID-ZINC04806231

 MMsINC code: MMs02409115
Type: Neutral
Formula: C7H10ClNO2S3
SMILES:   ClCC(OS(Sc1scc(n1)C)=O)C
InChI:   InChI=1/C7H10ClNO2S3/c1-5-4-12-7(9-5)13-14(10)11-6(2)3-8/h4,6H,3H2,1-2H3/t6-,14+/m1/s1

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Potential Energy
Epot(MMFF94)=34.5673 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.813 g/mol  logS: -3.91066  SlogP: 2.76622  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0457533  Sterimol/B1: 2.91637  Sterimol/B2: 3.64415  Sterimol/B3: 3.82747
  Sterimol/B4: 4.28796  Sterimol/L: 14.583 
 
 Surface and Volume Properties
  Accessible surface: 458.569  Positive charged surface: 211.93  Negative charged surface: 246.639  Volume: 214.125
  Hydrophobic surface: 317.575  Hydrophilic surface: 140.994
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.