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ENAMINE-ZINC05825274

 MMsINC code: MMs01641269
Type: Neutral
Formula: C17H14N2O3S
SMILES:   S(=O)(=O)(N)c1cc(NC(=O)c2cc3c(cc2)cccc3)ccc1
InChI:   InChI=1/C17H14N2O3S/c18-23(21,22)16-7-3-6-15(11-16)19-17(20)14-9-8-12-4-1-2-5-13(12)10-14/h1-11H,(H,19,20)(H2,18,21,22)

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Potential Energy
Epot(MMFF94)=56.3037 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.376 g/mol  logS: -5.45936  SlogP: 2.7395  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0175701  Sterimol/B1: 2.81774  Sterimol/B2: 3.43099  Sterimol/B3: 3.65635
  Sterimol/B4: 5.32071  Sterimol/L: 17.5559 
 
 Surface and Volume Properties
  Accessible surface: 556.65  Positive charged surface: 268.587  Negative charged surface: 276.992  Volume: 287.5
  Hydrophobic surface: 389.689  Hydrophilic surface: 166.961
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs01641270
ENAMINE-ZINC05825274