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CHEMDIV-ZINC06753125

 MMsINC code: MMs01016295
Type: Neutral
Formula: C24H24N2O2
SMILES:   O(CCCn1c2c(nc1C(O)c1ccccc1)cccc2)c1cc(ccc1)C
InChI:   InChI=1/C24H24N2O2/c1-18-9-7-12-20(17-18)28-16-8-15-26-22-14-6-5-13-21(22)25-24(26)23(27)19-10-3-2-4-11-19/h2-7,9-14,17,23,27H,8,15-16H2,1H3/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.5432 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.468 g/mol  logS: -5.58974  SlogP: 5.25742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0787777  Sterimol/B1: 3.1232  Sterimol/B2: 5.22932  Sterimol/B3: 5.83832
  Sterimol/B4: 6.90116  Sterimol/L: 18.1599 
 
 Surface and Volume Properties
  Accessible surface: 683.934  Positive charged surface: 394.979  Negative charged surface: 288.955  Volume: 380
  Hydrophobic surface: 624.297  Hydrophilic surface: 59.637
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.