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PUBCHEM-ZINC05828633

 MMsINC code: MMs03404058
Type: Neutral
Formula: C4H10N2-2
SMILES:   [NH-]CCCC[NH-]
InChI:   InChI=1/C4H10N2/c5-3-1-2-4-6/h5-6H,1-4H2/q-2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.9456 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 86.138 g/mol  logS: 0.57442  SlogP: 0.3324  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0864178  Sterimol/B1: 2.24113  Sterimol/B2: 2.37496  Sterimol/B3: 2.37586
  Sterimol/B4: 3.22458  Sterimol/L: 10.4382 
 
 Surface and Volume Properties
  Accessible surface: 282.446  Positive charged surface: 194.084  Negative charged surface: 88.3617  Volume: 101.125
  Hydrophobic surface: 161.463  Hydrophilic surface: 120.983
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 0  Acid groups: 2  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.