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ENAMINE-ZINC03398567

 MMsINC code: MMs01418599
Type: Neutral
Formula: C13H16N2O4
SMILES:   O(C(=O)c1ccccc1)CC(=O)NC(=O)NCCC
InChI:   InChI=1/C13H16N2O4/c1-2-8-14-13(18)15-11(16)9-19-12(17)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,14,15,16,18)

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Potential Energy
Epot(MMFF94)=28.3491 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.281 g/mol  logS: -2.69669  SlogP: 1.0792  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00688182  Sterimol/B1: 2.37527  Sterimol/B2: 2.37622  Sterimol/B3: 3.74805
  Sterimol/B4: 4.586  Sterimol/L: 19.3009 
 
 Surface and Volume Properties
  Accessible surface: 526.114  Positive charged surface: 334.961  Negative charged surface: 191.153  Volume: 250.375
  Hydrophobic surface: 363.134  Hydrophilic surface: 162.98
 
 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.