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NCID-ZINC05120834

 MMsINC code: MMs02443049
Type: Neutral
Formula: C13H12Cl2N2O3S
SMILES:   Clc1sc(Cl)cc1CO\N=C/c1c(O)c(ncc1CO)C
InChI:   InChI=1/C13H12Cl2N2O3S/c1-7-12(19)10(9(5-18)3-16-7)4-17-20-6-8-2-11(14)21-13(8)15/h2-4,18-19H,5-6H2,1H3/b17-4-

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Potential Energy
Epot(MMFF94)=72.7927 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.222 g/mol  logS: -3.59561  SlogP: 4.03972  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.203463  Sterimol/B1: 2.11647  Sterimol/B2: 3.0787  Sterimol/B3: 5.68044
  Sterimol/B4: 7.40132  Sterimol/L: 13.4696 
 
 Surface and Volume Properties
  Accessible surface: 535.301  Positive charged surface: 265.298  Negative charged surface: 270.003  Volume: 283.75
  Hydrophobic surface: 414.528  Hydrophilic surface: 120.773
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.