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PUBCHEM-ZINC05978591

MMsINC code: MMs03473949

Type: Neutral
Formula: C23H26N2O2
SMILES:   Oc1cc(ccc1)-c1c(C(=O)N)c(n(Cc2ccccc2)c1CCCC)C
InChI:   InChI=1/C23H26N2O2/c1-3-4-13-20-22(18-11-8-12-19(26)14-18)21(23(24)27)16(2)25(20)15-17-9-6-5-7-10-17/h5-12,14,26H,3-4,13,15H2,1-2H3,(H2,24,27)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=82.2352 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.473 g/mol  logS: -5.66555  SlogP: 4.92529  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.249851  Sterimol/B1: 2.44107  Sterimol/B2: 3.71317  Sterimol/B3: 5.69069
  Sterimol/B4: 11.2404  Sterimol/L: 14.6498 
 
 Surface and Volume Properties
  Accessible surface: 636.255  Positive charged surface: 392.037  Negative charged surface: 244.218  Volume: 371
  Hydrophobic surface: 457.58  Hydrophilic surface: 178.675
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.