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PUBCHEM-ZINC00279654

 MMsINC code: MMs02649729
Type: Neutral
Formula: C14H23FN2
SMILES:   Fc1ccccc1CN(CCN(CC)CC)C
InChI:   InChI=1/C14H23FN2/c1-4-17(5-2)11-10-16(3)12-13-8-6-7-9-14(13)15/h6-9H,4-5,10-12H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.4472 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.35 g/mol  logS: -2.10362  SlogP: 2.8657  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0679047  Sterimol/B1: 2.18893  Sterimol/B2: 3.45469  Sterimol/B3: 3.52377
  Sterimol/B4: 6.40486  Sterimol/L: 15.0615 
 
 Surface and Volume Properties
  Accessible surface: 503.418  Positive charged surface: 363.949  Negative charged surface: 139.469  Volume: 260.125
  Hydrophobic surface: 451.77  Hydrophilic surface: 51.648
 
 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


MMs02649730
PUBCHEM-ZINC00279654