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NCID-ZINC01660248

 MMsINC code: MMs02297690
Type: Neutral
Formula: C23H25F2NO
SMILES:   Fc1ccc(cc1)C(OCC=C1CC2N(C(C1)CC2)C)c1ccc(F)cc1
InChI:   InChI=1/C23H25F2NO/c1-26-21-10-11-22(26)15-16(14-21)12-13-27-23(17-2-6-19(24)7-3-17)18-4-8-20(25)9-5-18/h2-9,12,21-23H,10-11,13-15H2,1H3/b16-12-/t21-,22+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=95.4559 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.455 g/mol  logS: -4.7373  SlogP: 5.3493  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102447  Sterimol/B1: 3.88407  Sterimol/B2: 3.95946  Sterimol/B3: 5.46253
  Sterimol/B4: 5.87856  Sterimol/L: 16.8398 
 
 Surface and Volume Properties
  Accessible surface: 641.272  Positive charged surface: 408.989  Negative charged surface: 232.283  Volume: 363.5
  Hydrophobic surface: 626.469  Hydrophilic surface: 14.803
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02297691
NCID-ZINC01660248