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ENAMINE-ZINC03386200

 MMsINC code: MMs01410695
Type: Neutral
Formula: C15H18N2O5
SMILES:   O(C(=O)c1ccc(cc1)C=O)CC(=O)NC(=O)NCC(C)C
InChI:   InChI=1/C15H18N2O5/c1-10(2)7-16-15(21)17-13(19)9-22-14(20)12-5-3-11(8-18)4-6-12/h3-6,8,10H,7,9H2,1-2H3,(H2,16,17,19,21)

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Potential Energy
Epot(MMFF94)=42.6731 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.318 g/mol  logS: -2.90457  SlogP: 1.1377  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0114381  Sterimol/B1: 2.38388  Sterimol/B2: 3.31864  Sterimol/B3: 3.65828
  Sterimol/B4: 5.11662  Sterimol/L: 20.6154 
 
 Surface and Volume Properties
  Accessible surface: 585.515  Positive charged surface: 373.64  Negative charged surface: 211.874  Volume: 285.5
  Hydrophobic surface: 342.137  Hydrophilic surface: 243.378
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.