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NCID-ZINC01857605

 MMsINC code: MMs02372590
Type: Neutral
Formula: C12H14N2O3S
SMILES:   S1c2c(NC(=O)C1CC)c(NC=O)cc(OC)c2
InChI:   InChI=1/C12H14N2O3S/c1-3-9-12(16)14-11-8(13-6-15)4-7(17-2)5-10(11)18-9/h4-6,9H,3H2,1-2H3,(H,13,15)(H,14,16)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=74.1581 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.321 g/mol  logS: -3.43494  SlogP: 2.0863  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0879038  Sterimol/B1: 2.53144  Sterimol/B2: 4.08985  Sterimol/B3: 4.45657
  Sterimol/B4: 6.9165  Sterimol/L: 11.7831 
 
 Surface and Volume Properties
  Accessible surface: 457.225  Positive charged surface: 307.324  Negative charged surface: 149.9  Volume: 237
  Hydrophobic surface: 261.456  Hydrophilic surface: 195.769
 
 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.