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CHEMDIV-ZINC06809374

 MMsINC code: MMs01036931
Type: Neutral
Formula: C14H19NO4S
SMILES:   S(=O)(=O)(N1CCCCCCC1)c1ccc(cc1)C(O)=O
InChI:   InChI=1/C14H19NO4S/c16-14(17)12-6-8-13(9-7-12)20(18,19)15-10-4-2-1-3-5-11-15/h6-9H,1-5,10-11H2,(H,16,17)

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Potential Energy
Epot(MMFF94)=64.7886 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.375 g/mol  logS: -2.73898  SlogP: 2.3396  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0792946  Sterimol/B1: 2.43945  Sterimol/B2: 3.44963  Sterimol/B3: 3.65909
  Sterimol/B4: 5.73777  Sterimol/L: 14.8979 
 
 Surface and Volume Properties
  Accessible surface: 481.694  Positive charged surface: 299.68  Negative charged surface: 182.014  Volume: 267.125
  Hydrophobic surface: 346.267  Hydrophilic surface: 135.427
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs01036932
CHEMDIV-ZINC06809374