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NCID-ZINC01691531

 MMsINC code: MMs02323579
Type: Neutral
Formula: C26H27NO
SMILES:   O(CCN(CC)CC)c1ccc(cc1)C=C1c2c(-c3c1cccc3)cccc2
InChI:   InChI=1/C26H27NO/c1-3-27(4-2)17-18-28-21-15-13-20(14-16-21)19-26-24-11-7-5-9-22(24)23-10-6-8-12-25(23)26/h5-16,19H,3-4,17-18H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=142.856 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.508 g/mol  logS: -7.10667  SlogP: 5.79379  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0532969  Sterimol/B1: 2.54875  Sterimol/B2: 4.17435  Sterimol/B3: 5.83308
  Sterimol/B4: 6.20825  Sterimol/L: 19.1135 
 
 Surface and Volume Properties
  Accessible surface: 686.875  Positive charged surface: 434.324  Negative charged surface: 239.493  Volume: 394.875
  Hydrophobic surface: 640.972  Hydrophilic surface: 45.903
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02323580
NCID-ZINC01691531