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PUBCHEM-ZINC00994978

 MMsINC code: MMs02752120
Type: Neutral
Formula: C23H22N2
SMILES:   n1(c2c(cc(cc2)\C=N\c2cc(ccc2C)C)c2c1cccc2)CC
InChI:   InChI=1/C23H22N2/c1-4-25-22-8-6-5-7-19(22)20-14-18(11-12-23(20)25)15-24-21-13-16(2)9-10-17(21)3/h5-15H,4H2,1-3H3/b24-15+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.018 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.443 g/mol  logS: -6.30181  SlogP: 6.44824  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0368364  Sterimol/B1: 2.31807  Sterimol/B2: 3.62633  Sterimol/B3: 3.68737
  Sterimol/B4: 8.27148  Sterimol/L: 17.5259 
 
 Surface and Volume Properties
  Accessible surface: 621.205  Positive charged surface: 371.734  Negative charged surface: 239.665  Volume: 346.625
  Hydrophobic surface: 586.464  Hydrophilic surface: 34.741
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.