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ACROSORGANICS-ZINC00967771

 MMsINC code: MMs00008369
Type: Neutral
Formula: C4H12N+
SMILES:   [N+](C)(C)(C)C
InChI:   InChI=1/C4H12N/c1-5(2,3)4/h1-4H3/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.2232 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 74.147 g/mol  logS: 0.64195  SlogP: 0.3224  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.999564  Sterimol/B1: 2.31356  Sterimol/B2: 3.25709  Sterimol/B3: 3.62526
  Sterimol/B4: 4.63369  Sterimol/L: 6.29298 
 
 Surface and Volume Properties
  Accessible surface: 254.929  Positive charged surface: 254.929  Negative charged surface: 0  Volume: 98.625
  Hydrophobic surface: 180.768  Hydrophilic surface: 74.161
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.