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PUBCHEM-ZINC00271514

 MMsINC code: MMs02648680
Type: Neutral
Formula: C12H19FN2
SMILES:   Fc1ccccc1CN(CCN(C)C)C
InChI:   InChI=1/C12H19FN2/c1-14(2)8-9-15(3)10-11-6-4-5-7-12(11)13/h4-7H,8-10H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.5576 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.296 g/mol  logS: -1.4492  SlogP: 2.0855  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0866744  Sterimol/B1: 2.69174  Sterimol/B2: 2.72276  Sterimol/B3: 3.8984
  Sterimol/B4: 5.12961  Sterimol/L: 14.4601 
 
 Surface and Volume Properties
  Accessible surface: 449.631  Positive charged surface: 353.118  Negative charged surface: 96.5125  Volume: 225.625
  Hydrophobic surface: 439.553  Hydrophilic surface: 10.078
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs02648681
PUBCHEM-ZINC00271514