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ENAMINE-ZINC03381754

 MMsINC code: MMs01407372
Type: Neutral
Formula: C15H22N2O5
SMILES:   O=C1N(CC(OCC(=O)NC(C)C)=O)C(=O)C2C1CCCC2
InChI:   InChI=1/C15H22N2O5/c1-9(2)16-12(18)8-22-13(19)7-17-14(20)10-5-3-4-6-11(10)15(17)21/h9-11H,3-8H2,1-2H3,(H,16,18)/t10-,11-/m0/s1

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Potential Energy
Epot(MMFF94)=26.8905 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.35 g/mol  logS: -2.52421  SlogP: 0.2294  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0423823  Sterimol/B1: 3.00434  Sterimol/B2: 3.3903  Sterimol/B3: 4.22847
  Sterimol/B4: 5.01392  Sterimol/L: 18.4225 
 
 Surface and Volume Properties
  Accessible surface: 576.011  Positive charged surface: 402.899  Negative charged surface: 173.112  Volume: 290.625
  Hydrophobic surface: 375.88  Hydrophilic surface: 200.131
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.