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CHEMDIV-ZINC04970015

 MMsINC code: MMs00975544
Type: Neutral
Formula: C24H18FN3
SMILES:   Fc1cc2ncc3c(n(nc3-c3ccccc3)-c3cc(C)c(cc3)C)c2cc1
InChI:   InChI=1/C24H18FN3/c1-15-8-10-19(12-16(15)2)28-24-20-11-9-18(25)13-22(20)26-14-21(24)23(27-28)17-6-4-3-5-7-17/h3-14H,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=137.505 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.427 g/mol  logS: -7.61201  SlogP: 5.99664  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.05281  Sterimol/B1: 2.84481  Sterimol/B2: 3.79259  Sterimol/B3: 4.33991
  Sterimol/B4: 9.23477  Sterimol/L: 16.1475 
 
 Surface and Volume Properties
  Accessible surface: 616.955  Positive charged surface: 334.082  Negative charged surface: 271.841  Volume: 353.5
  Hydrophobic surface: 579.078  Hydrophilic surface: 37.877
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.