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ENAMINE-ZINC03463610

 MMsINC code: MMs01458410
Type: Neutral
Formula: C17H27N3O3
SMILES:   O=C1N(CC(=O)N2CCCCC2)C(=O)NC12CCCCCCC2
InChI:   InChI=1/C17H27N3O3/c21-14(19-11-7-4-8-12-19)13-20-15(22)17(18-16(20)23)9-5-2-1-3-6-10-17/h1-13H2,(H,18,23)

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Potential Energy
Epot(MMFF94)=82.8278 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.421 g/mol  logS: -3.3568  SlogP: 2.0338  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0566675  Sterimol/B1: 2.8814  Sterimol/B2: 3.59967  Sterimol/B3: 4.2889
  Sterimol/B4: 5.00095  Sterimol/L: 16.4987 
 
 Surface and Volume Properties
  Accessible surface: 552.751  Positive charged surface: 407.182  Negative charged surface: 145.569  Volume: 309.25
  Hydrophobic surface: 442.995  Hydrophilic surface: 109.756
 
 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.