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ENAMINE-ZINC03272275

 MMsINC code: MMs01343255
Type: Neutral
Formula: C26H24N2O2
SMILES:   O=C/1N(C(=O)c2c(cccc2)\C\1=C\Nc1c(cccc1C)C)c1cc(C)c(cc1)C
InChI:   InChI=1/C26H24N2O2/c1-16-12-13-20(14-19(16)4)28-25(29)22-11-6-5-10-21(22)23(26(28)30)15-27-24-17(2)8-7-9-18(24)3/h5-15,27H,1-4H3/b23-15-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=157.807 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.49 g/mol  logS: -6.90033  SlogP: 5.56028  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0775357  Sterimol/B1: 2.48615  Sterimol/B2: 3.10901  Sterimol/B3: 5.26278
  Sterimol/B4: 11.2727  Sterimol/L: 16.7843 
 
 Surface and Volume Properties
  Accessible surface: 671.31  Positive charged surface: 383.028  Negative charged surface: 288.281  Volume: 398.625
  Hydrophobic surface: 625.341  Hydrophilic surface: 45.969
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1
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Ions/Tautomers related molecules


MMs01343256
ENAMINE-ZINC03272275