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ENAMINE-ZINC03592771

 MMsINC code: MMs01519258
Type: Neutral
Formula: C17H27N3O3
SMILES:   O=C1N(CC(=O)N2CCCCC2C)C(=O)NC12CCCCCC2
InChI:   InChI=1/C17H27N3O3/c1-13-8-4-7-11-19(13)14(21)12-20-15(22)17(18-16(20)23)9-5-2-3-6-10-17/h13H,2-12H2,1H3,(H,18,23)/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=90.7581 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.421 g/mol  logS: -3.16879  SlogP: 2.0322  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0660167  Sterimol/B1: 2.36269  Sterimol/B2: 3.64457  Sterimol/B3: 4.29121
  Sterimol/B4: 6.25238  Sterimol/L: 16.1505 
 
 Surface and Volume Properties
  Accessible surface: 547.142  Positive charged surface: 402.998  Negative charged surface: 144.144  Volume: 312.25
  Hydrophobic surface: 439.711  Hydrophilic surface: 107.431
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.