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CHEMDIV-ZINC06771303

 MMsINC code: MMs01019234
Type: Neutral
Formula: C24H26N2O4
SMILES:   O=C1N(Cc2c1c(ccc2)C(=O)Nc1cc(ccc1)C(OCC)=O)C1CCCCC1
InChI:   InChI=1/C24H26N2O4/c1-2-30-24(29)16-8-6-10-18(14-16)25-22(27)20-13-7-9-17-15-26(23(28)21(17)20)19-11-4-3-5-12-19/h6-10,13-14,19H,2-5,11-12,15H2,1H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.659 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.482 g/mol  logS: -5.69749  SlogP: 4.6705  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0547811  Sterimol/B1: 3.04343  Sterimol/B2: 3.08  Sterimol/B3: 4.49055
  Sterimol/B4: 10.6008  Sterimol/L: 16.7231 
 
 Surface and Volume Properties
  Accessible surface: 710.896  Positive charged surface: 489.4  Negative charged surface: 221.496  Volume: 394.5
  Hydrophobic surface: 600.025  Hydrophilic surface: 110.871
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.