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CHEMBRIDGE-ZINC01018264

MMsINC code: MMs00652138

Type: Neutral
Formula: C23H23NO
SMILES:   O=C(NC(C)c1ccccc1)C(C)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C23H23NO/c1-18(19-12-6-3-7-13-19)24-22(25)23(2,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,1-2H3,(H,24,25)/t18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=112.292 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.443 g/mol  logS: -5.53182  SlogP: 4.9655  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149708  Sterimol/B1: 2.27477  Sterimol/B2: 3.5801  Sterimol/B3: 4.42756
  Sterimol/B4: 9.32054  Sterimol/L: 15.7498 
 
 Surface and Volume Properties
  Accessible surface: 599.083  Positive charged surface: 339.923  Negative charged surface: 259.16  Volume: 348.25
  Hydrophobic surface: 553.166  Hydrophilic surface: 45.917
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.