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PUBCHEM-ZINC05849656

 MMsINC code: MMs03416002
Type: Neutral
Formula: C5H10N2-2
SMILES:   [NH-]C1CCCC1[NH-]
InChI:   InChI=1/C5H10N2/c6-4-2-1-3-5(4)7/h4-7H,1-3H2/q-2/t4-,5-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.1361 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 98.149 g/mol  logS: 0.22381  SlogP: 0.4733  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.268665  Sterimol/B1: 2.42182  Sterimol/B2: 2.59116  Sterimol/B3: 2.99065
  Sterimol/B4: 5.33243  Sterimol/L: 7.6225 
 
 Surface and Volume Properties
  Accessible surface: 278.325  Positive charged surface: 194.789  Negative charged surface: 83.5364  Volume: 108.25
  Hydrophobic surface: 172.664  Hydrophilic surface: 105.661
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 0  Acid groups: 2  Basic groups: 0
  Chiral centers: 2
 
 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.