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ENAMINE-ZINC03509105

 MMsINC code: MMs01481623
Type: Neutral
Formula: C23H24N2O4
SMILES:   o1c(ccc1C)-c1nc2c(cccc2)c(c1)C(OCC(=O)NC1CCCCC1)=O
InChI:   InChI=1/C23H24N2O4/c1-15-11-12-21(29-15)20-13-18(17-9-5-6-10-19(17)25-20)23(27)28-14-22(26)24-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14H2,1H3,(H,24,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.6618 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.455 g/mol  logS: -6.27488  SlogP: 4.40892  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0215564  Sterimol/B1: 2.25323  Sterimol/B2: 3.19767  Sterimol/B3: 3.50799
  Sterimol/B4: 12.2979  Sterimol/L: 18.2936 
 
 Surface and Volume Properties
  Accessible surface: 711.077  Positive charged surface: 458.367  Negative charged surface: 247.174  Volume: 380.75
  Hydrophobic surface: 610.934  Hydrophilic surface: 100.143
 
 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.