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ACROSORGANICS-ZINC01689691

 MMsINC code: MMs00011010
Type: Neutral
Formula: C4H12N2
SMILES:   N(N)C(C)(C)C
InChI:   InChI=1/C4H12N2/c1-4(2,3)6-5/h6H,5H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.997 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 88.154 g/mol  logS: -0.24346  SlogP: 0.2482  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.517955  Sterimol/B1: 1.969  Sterimol/B2: 3.17564  Sterimol/B3: 3.39222
  Sterimol/B4: 4.70563  Sterimol/L: 8.05633 
 
 Surface and Volume Properties
  Accessible surface: 273.318  Positive charged surface: 198.35  Negative charged surface: 74.968  Volume: 104.625
  Hydrophobic surface: 134.646  Hydrophilic surface: 138.672
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00011011
ACROSORGANICS-ZINC01689691