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ASINEX-ZINC00678435

 MMsINC code: MMs00148527
Type: Neutral
Formula: C25H18FNO2
SMILES:   Fc1ccc(N2C(=O)C3(C(C4c5c(C3c3c4cccc3)cccc5)C2=O)C)cc1
InChI:   InChI=1/C25H18FNO2/c1-25-21-18-8-4-2-6-16(18)20(17-7-3-5-9-19(17)21)22(25)23(28)27(24(25)29)15-12-10-14(26)11-13-15/h2-13,20-22H,1H3/t20-,21+,22-,25+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=246.382 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.422 g/mol  logS: -5.6795  SlogP: 4.6124  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.183941  Sterimol/B1: 3.46182  Sterimol/B2: 4.47678  Sterimol/B3: 4.85107
  Sterimol/B4: 6.54875  Sterimol/L: 14.9168 
 
 Surface and Volume Properties
  Accessible surface: 576.358  Positive charged surface: 292.52  Negative charged surface: 283.838  Volume: 345.25
  Hydrophobic surface: 507.214  Hydrophilic surface: 69.144
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.