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PUBCHEM-ZINC02929618

 MMsINC code: MMs02961362
Type: Neutral
Formula: C23H30N2O2
SMILES:   O=C(C)c1cc(n(CCC(=O)NC2CCCCCC2)c1C)-c1ccccc1
InChI:   InChI=1/C23H30N2O2/c1-17-21(18(2)26)16-22(19-10-6-5-7-11-19)25(17)15-14-23(27)24-20-12-8-3-4-9-13-20/h5-7,10-11,16,20H,3-4,8-9,12-15H2,1-2H3,(H,24,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.3792 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.505 g/mol  logS: -4.7838  SlogP: 5.16162  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0519346  Sterimol/B1: 2.20617  Sterimol/B2: 3.13023  Sterimol/B3: 4.24009
  Sterimol/B4: 10.2098  Sterimol/L: 18.1814 
 
 Surface and Volume Properties
  Accessible surface: 659.662  Positive charged surface: 430.208  Negative charged surface: 229.454  Volume: 382
  Hydrophobic surface: 582.634  Hydrophilic surface: 77.028
 
 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: no related molecules available.