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NANOSIN-ZINC01518028

 MMsINC code: MMs02198973
Type: Neutral
Formula: C11H10N2O3S
SMILES:   S1CCN=C1NC(=O)c1ccccc1C(O)=O
InChI:   InChI=1/C11H10N2O3S/c14-9(13-11-12-5-6-17-11)7-3-1-2-4-8(7)10(15)16/h1-4H,5-6H2,(H,15,16)(H,12,13,14)

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Potential Energy
Epot(MMFF94)=49.1863 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.278 g/mol  logS: -3.17917  SlogP: 1.2174  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0343179  Sterimol/B1: 2.50719  Sterimol/B2: 2.98935  Sterimol/B3: 3.17042
  Sterimol/B4: 7.23796  Sterimol/L: 13.3768 
 
 Surface and Volume Properties
  Accessible surface: 439.306  Positive charged surface: 276.781  Negative charged surface: 162.525  Volume: 215.375
  Hydrophobic surface: 262.614  Hydrophilic surface: 176.692
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02198974
NANOSIN-ZINC01518028