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PUBCHEM-ZINC06580870

 MMsINC code: MMs03807327
Type: Neutral
Formula: C26H27NO2
SMILES:   OC1CC(Cc2ccccc2)C(=O)N(Cc2ccccc2)C1Cc1ccccc1
InChI:   InChI=1/C26H27NO2/c28-25-18-23(16-20-10-4-1-5-11-20)26(29)27(19-22-14-8-3-9-15-22)24(25)17-21-12-6-2-7-13-21/h1-15,23-25,28H,16-19H2/t23-,24+,25+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=143.691 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.507 g/mol  logS: -4.98831  SlogP: 4.51634  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0938212  Sterimol/B1: 3.60777  Sterimol/B2: 3.78859  Sterimol/B3: 4.19579
  Sterimol/B4: 7.4193  Sterimol/L: 17.1506 
 
 Surface and Volume Properties
  Accessible surface: 633.176  Positive charged surface: 386.983  Negative charged surface: 246.193  Volume: 395.625
  Hydrophobic surface: 587.882  Hydrophilic surface: 45.294
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.