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FDA-ZINC00508068

 MMsINC code: MMs01725151
Type: Tautomer
Formula: C16H20N2
SMILES:   n1ccccc1C(CCN(C)C)c1ccccc1
InChI:   InChI=1/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3/t15-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.7535 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.35 g/mol  logS: -2.05681  SlogP: 3.1652  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.229331  Sterimol/B1: 2.73002  Sterimol/B2: 2.91059  Sterimol/B3: 4.94144
  Sterimol/B4: 7.42701  Sterimol/L: 13.3448 
 
 Surface and Volume Properties
  Accessible surface: 495.939  Positive charged surface: 370.151  Negative charged surface: 125.788  Volume: 264.75
  Hydrophobic surface: 482.726  Hydrophilic surface: 13.213
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  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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Parent related molecule:


MMs01725150
FDA-ZINC00508068