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PUBCHEM-ZINC06778164

 MMsINC code: MMs03858433
Type: Neutral
Formula: C17H31N3O2
SMILES:   O=C(N1CCN(CC1)C(=O)NCCCCC)C1CCCCC1
InChI:   InChI=1/C17H31N3O2/c1-2-3-7-10-18-17(22)20-13-11-19(12-14-20)16(21)15-8-5-4-6-9-15/h15H,2-14H2,1H3,(H,18,22)

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Potential Energy
Epot(MMFF94)=24.4953 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.454 g/mol  logS: -3.1277  SlogP: 2.6107  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0326169  Sterimol/B1: 3.04461  Sterimol/B2: 3.23676  Sterimol/B3: 3.33677
  Sterimol/B4: 6.81218  Sterimol/L: 19.034 
 
 Surface and Volume Properties
  Accessible surface: 611.835  Positive charged surface: 496.657  Negative charged surface: 115.178  Volume: 328.25
  Hydrophobic surface: 521.743  Hydrophilic surface: 90.092
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.