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ENAMINE-ZINC06602924

 MMsINC code: MMs01684159
Type: Neutral
Formula: C23H23FN2O2
SMILES:   Fc1ccc(cc1)C(N1CCOCC1)CNC(=O)c1c2c(ccc1)cccc2
InChI:   InChI=1/C23H23FN2O2/c24-19-10-8-18(9-11-19)22(26-12-14-28-15-13-26)16-25-23(27)21-7-3-5-17-4-1-2-6-20(17)21/h1-11,22H,12-16H2,(H,25,27)/t22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=138.038 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.447 g/mol  logS: -5.66114  SlogP: 3.8777  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0884418  Sterimol/B1: 3.27133  Sterimol/B2: 4.21124  Sterimol/B3: 4.44643
  Sterimol/B4: 6.73914  Sterimol/L: 17.2277 
 
 Surface and Volume Properties
  Accessible surface: 626.246  Positive charged surface: 384.589  Negative charged surface: 231.409  Volume: 363.875
  Hydrophobic surface: 586.054  Hydrophilic surface: 40.192
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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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Ions/Tautomers related molecules


MMs01684160
ENAMINE-ZINC06602924