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ENAMINE-ZINC02650588

 MMsINC code: MMs01275117
Type: Neutral
Formula: C16H25N3O5
SMILES:   O=C1N(CC(=O)N2CCC(CC2)C(OC)=O)C(=O)NC1CC(C)C
InChI:   InChI=1/C16H25N3O5/c1-10(2)8-12-14(21)19(16(23)17-12)9-13(20)18-6-4-11(5-7-18)15(22)24-3/h10-12H,4-9H2,1-3H3,(H,17,23)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=22.9924 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.392 g/mol  logS: -2.37752  SlogP: 0.3645  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0656785  Sterimol/B1: 2.35551  Sterimol/B2: 3.46748  Sterimol/B3: 4.35368
  Sterimol/B4: 6.46701  Sterimol/L: 18.8799 
 
 Surface and Volume Properties
  Accessible surface: 600.524  Positive charged surface: 441.572  Negative charged surface: 158.953  Volume: 320.25
  Hydrophobic surface: 398.252  Hydrophilic surface: 202.272
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.