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ENAMINE-ZINC03592688

 MMsINC code: MMs01519220
Type: Neutral
Formula: C17H27N3O3
SMILES:   O=C1N(CC(=O)N2CCC(CC2)C)C(=O)NC12CCC(CC2)C
InChI:   InChI=1/C17H27N3O3/c1-12-3-7-17(8-4-12)15(22)20(16(23)18-17)11-14(21)19-9-5-13(2)6-10-19/h12-13H,3-11H2,1-2H3,(H,18,23)/t12-,17+

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Potential Energy
Epot(MMFF94)=24.4061 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.421 g/mol  logS: -3.3568  SlogP: 1.7456  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0502836  Sterimol/B1: 3.22096  Sterimol/B2: 3.4746  Sterimol/B3: 4.4318
  Sterimol/B4: 4.44425  Sterimol/L: 18.1872 
 
 Surface and Volume Properties
  Accessible surface: 567.424  Positive charged surface: 416.067  Negative charged surface: 151.357  Volume: 314.75
  Hydrophobic surface: 417.438  Hydrophilic surface: 149.986
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.