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ACROSORGANICS-ZINC00407100

 MMsINC code: MMs00007899
Type: Neutral
Formula: C6H10N2
SMILES:   n1(N(C)C)cccc1
InChI:   InChI=1/C6H10N2/c1-7(2)8-5-3-4-6-8/h3-6H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=12.6447 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 110.16 g/mol  logS: 0.50502  SlogP: 0.6857  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0804494  Sterimol/B1: 2.22988  Sterimol/B2: 2.40632  Sterimol/B3: 3.15623
  Sterimol/B4: 4.76527  Sterimol/L: 9.11505 
 
 Surface and Volume Properties
  Accessible surface: 293.879  Positive charged surface: 211.55  Negative charged surface: 82.329  Volume: 125.125
  Hydrophobic surface: 255.222  Hydrophilic surface: 38.657
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.