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PUBCHEM-ZINC06491750

 MMsINC code: MMs03765369
Type: Neutral
Formula: C4H10N2-2
SMILES:   [NH-]C(CC[NH-])C
InChI:   InChI=1/C4H10N2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/q-2/t4-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.0958 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 86.138 g/mol  logS: 0.44898  SlogP: 0.3308  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124175  Sterimol/B1: 2.46327  Sterimol/B2: 2.75683  Sterimol/B3: 2.77882
  Sterimol/B4: 4.11842  Sterimol/L: 9.45143 
 
 Surface and Volume Properties
  Accessible surface: 275.711  Positive charged surface: 189.809  Negative charged surface: 85.9023  Volume: 101.5
  Hydrophobic surface: 147.973  Hydrophilic surface: 127.738
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 0  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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.