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PUBCHEM-ZINC06796430

 MMsINC code: MMs03863638
Type: Neutral
Formula: C19H22N2O4
SMILES:   O1C(=O)C(/C(=N\NC(=O)c2ccc(cc2)C(C)(C)C)/C)=C(O)C=C1C
InChI:   InChI=1/C19H22N2O4/c1-11-10-15(22)16(18(24)25-11)12(2)20-21-17(23)13-6-8-14(9-7-13)19(3,4)5/h6-10,22H,1-5H3,(H,21,23)/b20-12+

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Potential Energy
Epot(MMFF94)=120.348 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.395 g/mol  logS: -5.74143  SlogP: 3.3625  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0403489  Sterimol/B1: 3.63978  Sterimol/B2: 3.89937  Sterimol/B3: 4.50743
  Sterimol/B4: 4.81429  Sterimol/L: 19.596 
 
 Surface and Volume Properties
  Accessible surface: 625.194  Positive charged surface: 362.931  Negative charged surface: 262.263  Volume: 330.875
  Hydrophobic surface: 421.893  Hydrophilic surface: 203.301
 
 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: no related molecules available.