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MAYBRIDGE-ZINC02152770

 MMsINC code: MMs02158860
Type: Neutral
Formula: C28H22FNO
SMILES:   Fc1ccc(cc1)-c1n(C)c(cc1-c1ccc(OC)cc1)-c1cc2c(cc1)cccc2
InChI:   InChI=1/C28H22FNO/c1-30-27(23-8-7-19-5-3-4-6-22(19)17-23)18-26(20-11-15-25(31-2)16-12-20)28(30)21-9-13-24(29)14-10-21/h3-18H,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=123.795 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.488 g/mol  logS: -9.16209  SlogP: 7.6862  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0362554  Sterimol/B1: 2.91131  Sterimol/B2: 3.53754  Sterimol/B3: 4.42294
  Sterimol/B4: 7.00646  Sterimol/L: 19.765 
 
 Surface and Volume Properties
  Accessible surface: 677.722  Positive charged surface: 397.488  Negative charged surface: 270.587  Volume: 404.25
  Hydrophobic surface: 657.013  Hydrophilic surface: 20.709
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.