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PUBCHEM-ZINC02165324

 MMsINC code: MMs02878681
Type: Neutral
Formula: C4H10NO+
SMILES:   O=C[N+](C)(C)C
InChI:   InChI=1/C4H10NO/c1-5(2,3)4-6/h4H,1-3H3/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-0.109706 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 88.13 g/mol  logS: 0.57698  SlogP: -0.151  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.851183  Sterimol/B1: 2.57005  Sterimol/B2: 3.57332  Sterimol/B3: 3.57515
  Sterimol/B4: 4.2584  Sterimol/L: 6.57374 
 
 Surface and Volume Properties
  Accessible surface: 259.078  Positive charged surface: 229.532  Negative charged surface: 29.5458  Volume: 99.25
  Hydrophobic surface: 155.604  Hydrophilic surface: 103.474
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  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.