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CHEMDIV-ZINC05514333

 MMsINC code: MMs00996447
Type: Neutral
Formula: C24H24N2O5
SMILES:   O(c1ccc(NC(=O)C(=O)NCCc2cc(OC)c(OC)cc2)cc1)c1ccccc1
InChI:   InChI=1/C24H24N2O5/c1-29-21-13-8-17(16-22(21)30-2)14-15-25-23(27)24(28)26-18-9-11-20(12-10-18)31-19-6-4-3-5-7-19/h3-13,16H,14-15H2,1-2H3,(H,25,27)(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=144.618 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.465 g/mol  logS: -5.47238  SlogP: 3.79347  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0239775  Sterimol/B1: 2.1538  Sterimol/B2: 3.20434  Sterimol/B3: 4.47203
  Sterimol/B4: 7.31779  Sterimol/L: 25.1797 
 
 Surface and Volume Properties
  Accessible surface: 751.004  Positive charged surface: 502.407  Negative charged surface: 248.597  Volume: 401.875
  Hydrophobic surface: 636.98  Hydrophilic surface: 114.024
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.