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CHEMDIV-ZINC05249122

 MMsINC code: MMs00995590
Type: Neutral
Formula: C24H18FN3O
SMILES:   Fc1cc(ccc1)C1N(C(=O)c2[nH]nc(c12)-c1ccc(cc1)C)c1ccccc1
InChI:   InChI=1/C24H18FN3O/c1-15-10-12-16(13-11-15)21-20-22(27-26-21)24(29)28(19-8-3-2-4-9-19)23(20)17-6-5-7-18(25)14-17/h2-14,23H,1H3,(H,26,27)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=127.677 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.426 g/mol  logS: -6.89222  SlogP: 5.36952  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102316  Sterimol/B1: 2.7863  Sterimol/B2: 4.44587  Sterimol/B3: 5.83534
  Sterimol/B4: 6.79535  Sterimol/L: 16.4511 
 
 Surface and Volume Properties
  Accessible surface: 605.618  Positive charged surface: 320.547  Negative charged surface: 285.071  Volume: 359.5
  Hydrophobic surface: 502.689  Hydrophilic surface: 102.929
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0
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Ions/Tautomers related molecules: no related molecules available.