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ASINEX-ZINC04380104

 MMsINC code: MMs00328256
Type: Neutral
Formula: C27H22FNO2
SMILES:   Fc1ccc(cc1)CN1C(=O)C2C(C(C=CC2c2ccccc2)c2ccccc2)C1=O
InChI:   InChI=1/C27H22FNO2/c28-21-13-11-18(12-14-21)17-29-26(30)24-22(19-7-3-1-4-8-19)15-16-23(25(24)27(29)31)20-9-5-2-6-10-20/h1-16,22-25H,17H2/t22-,23-,24-,25-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.5001 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 411.476 g/mol  logS: -5.83163  SlogP: 5.3307  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163422  Sterimol/B1: 4.10728  Sterimol/B2: 4.13916  Sterimol/B3: 6.00487
  Sterimol/B4: 7.35634  Sterimol/L: 15.2948 
 
 Surface and Volume Properties
  Accessible surface: 670.858  Positive charged surface: 375.486  Negative charged surface: 295.372  Volume: 396.875
  Hydrophobic surface: 606.948  Hydrophilic surface: 63.91
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0
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Ions/Tautomers related molecules: no related molecules available.