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ENAMINE-ZINC03418710

 MMsINC code: MMs01430577
Type: Neutral
Formula: C14H18N2O5
SMILES:   O(C(=O)c1ccc(cc1)CO)CC(=O)NC(=O)NC(C)C
InChI:   InChI=1/C14H18N2O5/c1-9(2)15-14(20)16-12(18)8-21-13(19)11-5-3-10(7-17)4-6-11/h3-6,9,17H,7-8H2,1-2H3,(H2,15,16,18,20)

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Potential Energy
Epot(MMFF94)=37.6757 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.307 g/mol  logS: -2.59315  SlogP: 0.8363  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0181529  Sterimol/B1: 2.47579  Sterimol/B2: 3.81575  Sterimol/B3: 4.11795
  Sterimol/B4: 4.3274  Sterimol/L: 19.5196 
 
 Surface and Volume Properties
  Accessible surface: 569.706  Positive charged surface: 374.096  Negative charged surface: 195.61  Volume: 273.75
  Hydrophobic surface: 326.944  Hydrophilic surface: 242.762
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.