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ACROSORGANICS-ZINC04262606

 MMsINC code: MMs00017704
Type: Neutral
Formula: C7H10N2
SMILES:   N(C)c1ccc(N)cc1
InChI:   InChI=1/C7H10N2/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,8H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.6517 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 122.171 g/mol  logS: -0.90222  SlogP: 1.3105  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0143603  Sterimol/B1: 2.3751  Sterimol/B2: 2.37529  Sterimol/B3: 3.28531
  Sterimol/B4: 4.36637  Sterimol/L: 10.8733 
 
 Surface and Volume Properties
  Accessible surface: 318.791  Positive charged surface: 235.306  Negative charged surface: 83.4847  Volume: 133.875
  Hydrophobic surface: 233.837  Hydrophilic surface: 84.954
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.