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ENAMINE-ZINC03505409

 MMsINC code: MMs01479403
Type: Neutral
Formula: C17H27N3O3
SMILES:   O=C1N(CC(=O)NC2CCCCC2C)C(=O)NC12CCCCC2
InChI:   InChI=1/C17H27N3O3/c1-12-7-3-4-8-13(12)18-14(21)11-20-15(22)17(19-16(20)23)9-5-2-6-10-17/h12-13H,2-11H2,1H3,(H,18,21)(H,19,23)/t12-,13+/m1/s1

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Potential Energy
Epot(MMFF94)=20.05 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.421 g/mol  logS: -3.35111  SlogP: 1.936  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0757089  Sterimol/B1: 2.05296  Sterimol/B2: 3.86926  Sterimol/B3: 3.91055
  Sterimol/B4: 6.83122  Sterimol/L: 16.3487 
 
 Surface and Volume Properties
  Accessible surface: 562.914  Positive charged surface: 407.893  Negative charged surface: 155.021  Volume: 317.5
  Hydrophobic surface: 437.192  Hydrophilic surface: 125.722
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.