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ENAMINE-ZINC03333491

 MMsINC code: MMs01378242
Type: Neutral
Formula: C16H25N3O4
SMILES:   O1C(CN(CC1C)C(=O)CN1C(=O)C2(NC1=O)CCCCC2)C
InChI:   InChI=1/C16H25N3O4/c1-11-8-18(9-12(2)23-11)13(20)10-19-14(21)16(17-15(19)22)6-4-3-5-7-16/h11-12H,3-10H2,1-2H3,(H,17,22)/t11-,12+

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Potential Energy
Epot(MMFF94)=42.6008 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.393 g/mol  logS: -2.51811  SlogP: 0.8769  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0516581  Sterimol/B1: 2.42194  Sterimol/B2: 3.94443  Sterimol/B3: 3.97317
  Sterimol/B4: 7.19269  Sterimol/L: 16.3147 
 
 Surface and Volume Properties
  Accessible surface: 567.534  Positive charged surface: 408.733  Negative charged surface: 158.801  Volume: 308.625
  Hydrophobic surface: 405.255  Hydrophilic surface: 162.279
 
 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.