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ACROSORGANICS-ZINC00243037

 MMsINC code: MMs00006546
Type: Neutral
Formula: C14H16N2
SMILES:   Nc1ccccc1CCc1ccccc1N
InChI:   InChI=1/C14H16N2/c15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-8H,9-10,15-16H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.6872 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.296 g/mol  logS: -2.69104  SlogP: 2.63614  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0290412  Sterimol/B1: 2.41815  Sterimol/B2: 2.63935  Sterimol/B3: 2.799
  Sterimol/B4: 5.73955  Sterimol/L: 14.2622 
 
 Surface and Volume Properties
  Accessible surface: 439.917  Positive charged surface: 263.198  Negative charged surface: 176.719  Volume: 226
  Hydrophobic surface: 365.812  Hydrophilic surface: 74.105
 
 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.