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ENAMINE-ZINC03387133

 MMsINC code: MMs01411348
Type: Neutral
Formula: C19H20N2O4
SMILES:   O(C(=O)c1ccc(cc1)C(C)C)CC(=O)NNC(=O)c1ccccc1
InChI:   InChI=1/C19H20N2O4/c1-13(2)14-8-10-16(11-9-14)19(24)25-12-17(22)20-21-18(23)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,20,22)(H,21,23)

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Potential Energy
Epot(MMFF94)=95.4208 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.379 g/mol  logS: -5.49593  SlogP: 2.428  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0133191  Sterimol/B1: 2.37419  Sterimol/B2: 3.34047  Sterimol/B3: 4.87376
  Sterimol/B4: 6.42368  Sterimol/L: 20.8456 
 
 Surface and Volume Properties
  Accessible surface: 636.514  Positive charged surface: 367.75  Negative charged surface: 268.764  Volume: 329.875
  Hydrophobic surface: 455.351  Hydrophilic surface: 181.163
 
 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.