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ENAMINE-ZINC03434924

 MMsINC code: MMs01440048
Type: Neutral
Formula: C18H15NO4S
SMILES:   S(C)c1ccc(cc1)COC(=O)CN1C(=O)c2c(cccc2)C1=O
InChI:   InChI=1/C18H15NO4S/c1-24-13-8-6-12(7-9-13)11-23-16(20)10-19-17(21)14-4-2-3-5-15(14)18(19)22/h2-9H,10-11H2,1H3

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Potential Energy
Epot(MMFF94)=54.8747 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.387 g/mol  logS: -5.1322  SlogP: 3.0143  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0241477  Sterimol/B1: 3.04795  Sterimol/B2: 3.0798  Sterimol/B3: 3.52306
  Sterimol/B4: 5.26153  Sterimol/L: 20.1693 
 
 Surface and Volume Properties
  Accessible surface: 598.995  Positive charged surface: 314.613  Negative charged surface: 284.383  Volume: 308.875
  Hydrophobic surface: 431.668  Hydrophilic surface: 167.327
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.