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PUBCHEM-ZINC02466662

 MMsINC code: MMs02888463
Type: Neutral
Formula: C23H24N2O2
SMILES:   O=C1N2C(c3c(CC2)cccc3)C(c2c1cccc2)C(=O)N1CCCCC1
InChI:   InChI=1/C23H24N2O2/c26-22-19-11-5-4-10-18(19)20(23(27)24-13-6-1-7-14-24)21-17-9-3-2-8-16(17)12-15-25(21)22/h2-5,8-11,20-21H,1,6-7,12-15H2/t20-,21-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=221.161 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.457 g/mol  logS: -4.25595  SlogP: 3.63137  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.376828  Sterimol/B1: 3.80714  Sterimol/B2: 4.95902  Sterimol/B3: 5.43763
  Sterimol/B4: 5.72245  Sterimol/L: 13.4729 
 
 Surface and Volume Properties
  Accessible surface: 520.066  Positive charged surface: 353.332  Negative charged surface: 166.734  Volume: 343.625
  Hydrophobic surface: 472.364  Hydrophilic surface: 47.702
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.