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PUBCHEM-ZINC01856108

 MMsINC code: MMs02828281
Type: Neutral
Formula: C14H27N3O2
SMILES:   O=C1N(CCC1)CC(=O)NCCN(C(C)C)C(C)C
InChI:   InChI=1/C14H27N3O2/c1-11(2)17(12(3)4)9-7-15-13(18)10-16-8-5-6-14(16)19/h11-12H,5-10H2,1-4H3,(H,15,18)

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Potential Energy
Epot(MMFF94)=81.5801 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.389 g/mol  logS: -1.26895  SlogP: 0.8438  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0662229  Sterimol/B1: 2.72188  Sterimol/B2: 4.07614  Sterimol/B3: 4.40787
  Sterimol/B4: 4.88019  Sterimol/L: 16.1591 
 
 Surface and Volume Properties
  Accessible surface: 546.856  Positive charged surface: 402.198  Negative charged surface: 144.658  Volume: 285.75
  Hydrophobic surface: 384.77  Hydrophilic surface: 162.086
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02828282
PUBCHEM-ZINC01856108