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PUBCHEM-ZINC05736234

 MMsINC code: MMs03366115
Type: Neutral
Formula: C23H24N2O5
SMILES:   OC=1N(c2c(cccc2)C(=O)C=1C(=O)Nc1ccc(cc1)C(OC)=O)CCCCC
InChI:   InChI=1/C23H24N2O5/c1-3-4-7-14-25-18-9-6-5-8-17(18)20(26)19(22(25)28)21(27)24-16-12-10-15(11-13-16)23(29)30-2/h5-6,8-13,28H,3-4,7,14H2,1-2H3,(H,24,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=99.2262 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.454 g/mol  logS: -5.94907  SlogP: 4.0744  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0264237  Sterimol/B1: 2.11683  Sterimol/B2: 2.72253  Sterimol/B3: 3.65274
  Sterimol/B4: 11.0781  Sterimol/L: 19.9901 
 
 Surface and Volume Properties
  Accessible surface: 712.361  Positive charged surface: 466.905  Negative charged surface: 245.456  Volume: 389.75
  Hydrophobic surface: 546.987  Hydrophilic surface: 165.374
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.