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ENAMINE-ZINC03362790

 MMsINC code: MMs01396792
Type: Neutral
Formula: C15H15NO4S
SMILES:   s1cccc1CNC(=O)COC(=O)c1ccc(cc1)CO
InChI:   InChI=1/C15H15NO4S/c17-9-11-3-5-12(6-4-11)15(19)20-10-14(18)16-8-13-2-1-7-21-13/h1-7,17H,8-10H2,(H,16,18)

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Potential Energy
Epot(MMFF94)=52.0225 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.354 g/mol  logS: -3.28477  SlogP: 2.2464  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0188844  Sterimol/B1: 2.80835  Sterimol/B2: 3.83448  Sterimol/B3: 3.97104
  Sterimol/B4: 4.41275  Sterimol/L: 19.8928 
 
 Surface and Volume Properties
  Accessible surface: 574.986  Positive charged surface: 327.948  Negative charged surface: 247.038  Volume: 277.625
  Hydrophobic surface: 414.379  Hydrophilic surface: 160.607
 
 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: no related molecules available.