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ENAMINE-ZINC03398565

 MMsINC code: MMs01418597
Type: Neutral
Formula: C14H18N2O4
SMILES:   O(C(=O)c1ccccc1)CC(=O)NC(=O)NCC(C)C
InChI:   InChI=1/C14H18N2O4/c1-10(2)8-15-14(19)16-12(17)9-20-13(18)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H2,15,16,17,19)

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Potential Energy
Epot(MMFF94)=33.5031 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.308 g/mol  logS: -2.89846  SlogP: 1.3252  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0131884  Sterimol/B1: 2.35117  Sterimol/B2: 3.35993  Sterimol/B3: 3.65405
  Sterimol/B4: 4.87212  Sterimol/L: 19.3239 
 
 Surface and Volume Properties
  Accessible surface: 555.786  Positive charged surface: 353.56  Negative charged surface: 202.226  Volume: 266.875
  Hydrophobic surface: 374.602  Hydrophilic surface: 181.184
 
 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.