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ASINEX-ZINC01379344

 MMsINC code: MMs00251995
Type: Neutral
Formula: C17H31N3O2
SMILES:   O=C(NC(CC)(C)C)C1N(CCC1)C(=O)NC1CCCCC1
InChI:   InChI=1/C17H31N3O2/c1-4-17(2,3)19-15(21)14-11-8-12-20(14)16(22)18-13-9-6-5-7-10-13/h13-14H,4-12H2,1-3H3,(H,18,22)(H,19,21)/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=40.4413 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.454 g/mol  logS: -2.87783  SlogP: 2.7979  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.074849  Sterimol/B1: 2.52665  Sterimol/B2: 3.72053  Sterimol/B3: 3.75992
  Sterimol/B4: 8.0336  Sterimol/L: 17.0101 
 
 Surface and Volume Properties
  Accessible surface: 587.774  Positive charged surface: 456.247  Negative charged surface: 131.526  Volume: 324.75
  Hydrophobic surface: 492.366  Hydrophilic surface: 95.408
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.