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ENAMINE-ZINC03458167

 MMsINC code: MMs01455449
Type: Neutral
Formula: C17H27N3O3
SMILES:   O=C1N(CC(=O)NC2CCCCC2)C(=O)NC12CCCCCC2
InChI:   InChI=1/C17H27N3O3/c21-14(18-13-8-4-3-5-9-13)12-20-15(22)17(19-16(20)23)10-6-1-2-7-11-17/h13H,1-12H2,(H,18,21)(H,19,23)

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Potential Energy
Epot(MMFF94)=29.0353 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.421 g/mol  logS: -3.66456  SlogP: 2.0801  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0669189  Sterimol/B1: 3.41995  Sterimol/B2: 3.71011  Sterimol/B3: 4.32157
  Sterimol/B4: 5.01721  Sterimol/L: 17.3259 
 
 Surface and Volume Properties
  Accessible surface: 567.783  Positive charged surface: 421.843  Negative charged surface: 145.94  Volume: 314.5
  Hydrophobic surface: 443.338  Hydrophilic surface: 124.445
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.