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NCID-ZINC01856616

 MMsINC code: MMs02372208
Type: Neutral
Formula: C11H12N2O3S
SMILES:   S1c2c(NC(=O)C1C)c(NC=O)cc(OC)c2
InChI:   InChI=1/C11H12N2O3S/c1-6-11(15)13-10-8(12-5-14)3-7(16-2)4-9(10)17-6/h3-6H,1-2H3,(H,12,14)(H,13,15)/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=73.2184 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.294 g/mol  logS: -3.23317  SlogP: 1.6962  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0302385  Sterimol/B1: 2.61262  Sterimol/B2: 2.98828  Sterimol/B3: 3.4207
  Sterimol/B4: 7.29468  Sterimol/L: 12.4771 
 
 Surface and Volume Properties
  Accessible surface: 439.261  Positive charged surface: 298.497  Negative charged surface: 140.765  Volume: 219.75
  Hydrophobic surface: 246.122  Hydrophilic surface: 193.139
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.