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PUBCHEM-ZINC06482424

 MMsINC code: MMs03758770
Type: Neutral
Formula: C18H23F2NO2
SMILES:   Fc1ccc(cc1)C1CC2N(C(CC2)C1C(OC)=O)CCCF
InChI:   InChI=1/C18H23F2NO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h3-6,14-17H,2,7-11H2,1H3/t14-,15-,16+,17+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=377.467 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.383 g/mol  logS: -3.08044  SlogP: 3.2948  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.175556  Sterimol/B1: 2.50495  Sterimol/B2: 3.61308  Sterimol/B3: 4.25103
  Sterimol/B4: 8.14657  Sterimol/L: 14.4875 
 
 Surface and Volume Properties
  Accessible surface: 515.903  Positive charged surface: 358.073  Negative charged surface: 157.83  Volume: 294.125
  Hydrophobic surface: 448.595  Hydrophilic surface: 67.308
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs03758771
PUBCHEM-ZINC06482424