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CHEMDIV-ZINC02937331

 MMsINC code: MMs00894038
Type: Neutral
Formula: C24H23NO5
SMILES:   o1cccc1C(=O)NC(Cc1ccccc1)C(OCC(=O)c1ccc(cc1)CC)=O
InChI:   InChI=1/C24H23NO5/c1-2-17-10-12-19(13-11-17)21(26)16-30-24(28)20(15-18-7-4-3-5-8-18)25-23(27)22-9-6-14-29-22/h3-14,20H,2,15-16H2,1H3,(H,25,27)/t20-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.702 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.45 g/mol  logS: -6.60851  SlogP: 3.60914  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0240264  Sterimol/B1: 2.68823  Sterimol/B2: 3.91697  Sterimol/B3: 5.99525
  Sterimol/B4: 7.20146  Sterimol/L: 20.0737 
 
 Surface and Volume Properties
  Accessible surface: 719.608  Positive charged surface: 405.627  Negative charged surface: 313.981  Volume: 392
  Hydrophobic surface: 595.621  Hydrophilic surface: 123.987
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.