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ENAMINE-ZINC06086411

 MMsINC code: MMs01655190
Type: Neutral
Formula: C18H19NO5S2
SMILES:   s1c(ccc1CC(=O)N1CCOCC1)C(=O)COC(=O)c1sccc1C
InChI:   InChI=1/C18H19NO5S2/c1-12-4-9-25-17(12)18(22)24-11-14(20)15-3-2-13(26-15)10-16(21)19-5-7-23-8-6-19/h2-4,9H,5-8,10-11H2,1H3

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Potential Energy
Epot(MMFF94)=90.1531 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.484 g/mol  logS: -4.18568  SlogP: 2.55899  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0325243  Sterimol/B1: 2.1779  Sterimol/B2: 3.01929  Sterimol/B3: 4.28379
  Sterimol/B4: 7.90143  Sterimol/L: 20.0344 
 
 Surface and Volume Properties
  Accessible surface: 660.081  Positive charged surface: 396.265  Negative charged surface: 263.816  Volume: 348.5
  Hydrophobic surface: 551.402  Hydrophilic surface: 108.679
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.