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ASINEX-ZINC04375786

 MMsINC code: MMs00328201
Type: Neutral
Formula: C25H26FNO
SMILES:   Fc1ccc(cc1)C1(O)CC(N(C)C(C1C)c1ccccc1)c1ccccc1
InChI:   InChI=1/C25H26FNO/c1-18-24(20-11-7-4-8-12-20)27(2)23(19-9-5-3-6-10-19)17-25(18,28)21-13-15-22(26)16-14-21/h3-16,18,23-24,28H,17H2,1-2H3/t18-,23+,24+,25-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=183.11 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.487 g/mol  logS: -5.63872  SlogP: 5.97  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.236438  Sterimol/B1: 2.51795  Sterimol/B2: 4.69922  Sterimol/B3: 6.40774
  Sterimol/B4: 7.68679  Sterimol/L: 14.4478 
 
 Surface and Volume Properties
  Accessible surface: 601.775  Positive charged surface: 360.059  Negative charged surface: 241.716  Volume: 372.25
  Hydrophobic surface: 567.858  Hydrophilic surface: 33.917
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00328202
ASINEX-ZINC04375786