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ENAMINE-ZINC03381775

 MMsINC code: MMs01407390
Type: Neutral
Formula: C16H24N2O5
SMILES:   O=C1N(CC(OCC(=O)NC(C)(C)C)=O)C(=O)C2C1CCCC2
InChI:   InChI=1/C16H24N2O5/c1-16(2,3)17-12(19)9-23-13(20)8-18-14(21)10-6-4-5-7-11(10)15(18)22/h10-11H,4-9H2,1-3H3,(H,17,19)/t10-,11-/m1/s1

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Potential Energy
Epot(MMFF94)=43.3045 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.377 g/mol  logS: -2.85142  SlogP: 0.6195  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0465194  Sterimol/B1: 2.87915  Sterimol/B2: 2.96281  Sterimol/B3: 4.54268
  Sterimol/B4: 5.27781  Sterimol/L: 18.5191 
 
 Surface and Volume Properties
  Accessible surface: 586.25  Positive charged surface: 406.804  Negative charged surface: 179.445  Volume: 309.875
  Hydrophobic surface: 387.515  Hydrophilic surface: 198.735
 
 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.