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PUBCHEM-ZINC06306640

 MMsINC code: MMs03668672
Type: Neutral
Formula: C19H24N2O4
SMILES:   o1nc(c2c1CCCC2=O)CC\C(=N\C(C)C)\C1C(=O)CCCC1=O
InChI:   InChI=1/C19H24N2O4/c1-11(2)20-12(18-14(22)5-3-6-15(18)23)9-10-13-19-16(24)7-4-8-17(19)25-21-13/h11,18H,3-10H2,1-2H3/b20-12-

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Potential Energy
Epot(MMFF94)=65.9435 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.411 g/mol  logS: -2.44066  SlogP: 2.91384  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139452  Sterimol/B1: 2.77041  Sterimol/B2: 3.56154  Sterimol/B3: 4.94468
  Sterimol/B4: 8.69219  Sterimol/L: 14.339 
 
 Surface and Volume Properties
  Accessible surface: 595.762  Positive charged surface: 395.208  Negative charged surface: 200.553  Volume: 333.75
  Hydrophobic surface: 454.795  Hydrophilic surface: 140.967
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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


MMs03668673
PUBCHEM-ZINC06306640