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PUBCHEM-ZINC01079831

 MMsINC code: MMs02765829
Type: Neutral
Formula: C14H14N2O3S
SMILES:   S1(=O)(=O)N(c2c3c(ccc2)cccc13)C(C(=O)NC)C
InChI:   InChI=1/C14H14N2O3S/c1-9(14(17)15-2)16-11-7-3-5-10-6-4-8-12(13(10)11)20(16,18)19/h3-9H,1-2H3,(H,15,17)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=75.3741 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.343 g/mol  logS: -3.85446  SlogP: 1.483  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12963  Sterimol/B1: 2.21264  Sterimol/B2: 4.31765  Sterimol/B3: 5.57726
  Sterimol/B4: 5.83971  Sterimol/L: 14.1059 
 
 Surface and Volume Properties
  Accessible surface: 472.021  Positive charged surface: 267.844  Negative charged surface: 193.35  Volume: 253.625
  Hydrophobic surface: 349.967  Hydrophilic surface: 122.054
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.