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CHEMBRIDGE-ZINC02846241

 MMsINC code: MMs00725985
Type: Neutral
Formula: C23H24FNO2
SMILES:   Fc1ccc(cc1)COc1ccc(cc1OC)CNC(C)c1ccccc1
InChI:   InChI=1/C23H24FNO2/c1-17(20-6-4-3-5-7-20)25-15-19-10-13-22(23(14-19)26-2)27-16-18-8-11-21(24)12-9-18/h3-14,17,25H,15-16H2,1-2H3/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=95.2568 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.448 g/mol  logS: -5.38413  SlogP: 5.8924  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0677918  Sterimol/B1: 3.6783  Sterimol/B2: 3.84125  Sterimol/B3: 4.03431
  Sterimol/B4: 6.91093  Sterimol/L: 20.0854 
 
 Surface and Volume Properties
  Accessible surface: 697.624  Positive charged surface: 426.353  Negative charged surface: 271.272  Volume: 368.875
  Hydrophobic surface: 647.96  Hydrophilic surface: 49.664
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00725986
CHEMBRIDGE-ZINC02846241