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ENAMINE-ZINC05658067

 MMsINC code: MMs01631179
Type: Neutral
Formula: C26H24N2O2
SMILES:   O=C/1N(c2ccc(cc2C)C)C(=O)c2c(cccc2)\C\1=C/Nc1cc(ccc1C)C
InChI:   InChI=1/C26H24N2O2/c1-16-10-12-24(19(4)13-16)28-25(29)21-8-6-5-7-20(21)22(26(28)30)15-27-23-14-17(2)9-11-18(23)3/h5-15,27H,1-4H3/b22-15-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=142.694 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: 0.0610654  Sterimol/B1: 3.21872  Sterimol/B2: 3.57553  Sterimol/B3: 4.82187
  Sterimol/B4: 10.601  Sterimol/L: 17.5998 
 
 Surface and Volume Properties
  Accessible surface: 683.656  Positive charged surface: 381.608  Negative charged surface: 302.048  Volume: 395.875
  Hydrophobic surface: 649.163  Hydrophilic surface: 34.493
 
 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


MMs01631180
ENAMINE-ZINC05658067