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ENAMINE-ZINC00482280

 MMsINC code: MMs01231271
Type: Neutral
Formula: C15H15NO4S
SMILES:   S(=O)(=O)(Nc1ccc(cc1)C)c1cc(ccc1C)C(O)=O
InChI:   InChI=1/C15H15NO4S/c1-10-3-7-13(8-4-10)16-21(19,20)14-9-12(15(17)18)6-5-11(14)2/h3-9,16H,1-2H3,(H,17,18)

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Potential Energy
Epot(MMFF94)=53.8636 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.354 g/mol  logS: -3.65051  SlogP: 2.80244  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146228  Sterimol/B1: 2.99297  Sterimol/B2: 3.73595  Sterimol/B3: 5.14533
  Sterimol/B4: 6.86793  Sterimol/L: 12.3469 
 
 Surface and Volume Properties
  Accessible surface: 503.241  Positive charged surface: 262.394  Negative charged surface: 240.846  Volume: 269.625
  Hydrophobic surface: 334.137  Hydrophilic surface: 169.104
 
 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


MMs01231272
ENAMINE-ZINC00482280