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ENAMINE-ZINC03463207

 MMsINC code: MMs01458254
Type: Neutral
Formula: C16H27N3O3
SMILES:   O=C1N(CC(=O)NCCCC)C(=O)NC12CCCCCCC2
InChI:   InChI=1/C16H27N3O3/c1-2-3-11-17-13(20)12-19-14(21)16(18-15(19)22)9-7-5-4-6-8-10-16/h2-12H2,1H3,(H,17,20)(H,18,22)

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Potential Energy
Epot(MMFF94)=80.9192 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.41 g/mol  logS: -3.75284  SlogP: 1.9376  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0698477  Sterimol/B1: 3.27938  Sterimol/B2: 3.73942  Sterimol/B3: 4.30906
  Sterimol/B4: 5.23798  Sterimol/L: 17.9957 
 
 Surface and Volume Properties
  Accessible surface: 569.981  Positive charged surface: 420.725  Negative charged surface: 149.256  Volume: 305.125
  Hydrophobic surface: 417.38  Hydrophilic surface: 152.601
 
 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.