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PUBCHEM-ZINC02154909

 MMsINC code: MMs02877366
Type: Neutral
Formula: C24H17N
SMILES:   n1c2c(ccc3c2cccc3)c(cc1-c1cc2c(cc1)cccc2)C
InChI:   InChI=1/C24H17N/c1-16-14-23(20-11-10-17-6-2-3-8-19(17)15-20)25-24-21(16)13-12-18-7-4-5-9-22(18)24/h2-15H,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=110.518 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 319.407 g/mol  logS: -8.59828  SlogP: 6.51662  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00290752  Sterimol/B1: 2.16763  Sterimol/B2: 2.29619  Sterimol/B3: 2.5195
  Sterimol/B4: 9.82455  Sterimol/L: 16.5059 
 
 Surface and Volume Properties
  Accessible surface: 567.749  Positive charged surface: 279.579  Negative charged surface: 256.336  Volume: 326
  Hydrophobic surface: 549.776  Hydrophilic surface: 17.973
 
 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.