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ENAMINE-ZINC03398327

 MMsINC code: MMs01418440
Type: Neutral
Formula: C13H16N2O4
SMILES:   O(C(=O)c1ccccc1)CC(=O)NC(=O)NC(C)C
InChI:   InChI=1/C13H16N2O4/c1-9(2)14-13(18)15-11(16)8-19-12(17)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,14,15,16,18)

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Potential Energy
Epot(MMFF94)=32.2035 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.281 g/mol  logS: -2.82213  SlogP: 1.0776  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0189357  Sterimol/B1: 2.44816  Sterimol/B2: 3.62433  Sterimol/B3: 4.06654
  Sterimol/B4: 4.65623  Sterimol/L: 17.9406 
 
 Surface and Volume Properties
  Accessible surface: 525.903  Positive charged surface: 329.345  Negative charged surface: 196.558  Volume: 251.5
  Hydrophobic surface: 346.614  Hydrophilic surface: 179.289
 
 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.