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ENAMINE-ZINC03451735

 MMsINC code: MMs01451121
Type: Neutral
Formula: C18H18N2O4
SMILES:   O(C(=O)c1cccc(C)c1C)CC(=O)NNC(=O)c1ccccc1
InChI:   InChI=1/C18H18N2O4/c1-12-7-6-10-15(13(12)2)18(23)24-11-16(21)19-20-17(22)14-8-4-3-5-9-14/h3-10H,11H2,1-2H3,(H,19,21)(H,20,22)

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Potential Energy
Epot(MMFF94)=110.788 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.352 g/mol  logS: -4.93941  SlogP: 1.92144  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00406821  Sterimol/B1: 2.11517  Sterimol/B2: 2.63285  Sterimol/B3: 3.997
  Sterimol/B4: 5.00927  Sterimol/L: 20.3765 
 
 Surface and Volume Properties
  Accessible surface: 600.036  Positive charged surface: 342.233  Negative charged surface: 257.803  Volume: 309.125
  Hydrophobic surface: 466.583  Hydrophilic surface: 133.453
 
 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.