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ALFAAESAR-ZINC05224291

 MMsINC code: MMs00025313
Type: Neutral
Formula: C4H10N-
SMILES:   [N-](CC)CC
InChI:   InChI=1/C4H10N/c1-3-5-4-2/h3-4H2,1-2H3/q-1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=0.306314 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 72.131 g/mol  logS: -0.03629  SlogP: 1.3999  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0944652  Sterimol/B1: 2.11461  Sterimol/B2: 2.37561  Sterimol/B3: 2.37596
  Sterimol/B4: 3.01499  Sterimol/L: 9.66265 
 
 Surface and Volume Properties
  Accessible surface: 267.358  Positive charged surface: 194.383  Negative charged surface: 72.9746  Volume: 94.625
  Hydrophobic surface: 208.184  Hydrophilic surface: 59.174
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 1  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.