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PUBCHEM-ZINC02000878

 MMsINC code: MMs02843184
Type: Neutral
Formula: C4H12N2
SMILES:   N(N(C)C)(C)C
InChI:   InChI=1/C4H12N2/c1-5(2)6(3)4/h1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.927 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 88.154 g/mol  logS: 0.97564  SlogP: 0.0246  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.307997  Sterimol/B1: 2.14848  Sterimol/B2: 2.41663  Sterimol/B3: 3.5122
  Sterimol/B4: 4.84742  Sterimol/L: 8.34582 
 
 Surface and Volume Properties
  Accessible surface: 266.333  Positive charged surface: 258.288  Negative charged surface: 8.04525  Volume: 110.25
  Hydrophobic surface: 258.288  Hydrophilic surface: 8.045
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: no related molecules available.