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PUBCHEM-ZINC05891220

 MMsINC code: MMs03431775
Type: Neutral
Formula: C24H29NO4
SMILES:   O(C)c1cc(ccc1OC)C1(CCCC1)CNC(=O)\C=C/c1ccc(OC)cc1
InChI:   InChI=1/C24H29NO4/c1-27-20-10-6-18(7-11-20)8-13-23(26)25-17-24(14-4-5-15-24)19-9-12-21(28-2)22(16-19)29-3/h6-13,16H,4-5,14-15,17H2,1-3H3,(H,25,26)/b13-8-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=151.928 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.499 g/mol  logS: -5.34928  SlogP: 4.3538  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135293  Sterimol/B1: 2.20572  Sterimol/B2: 6.50885  Sterimol/B3: 6.58156
  Sterimol/B4: 7.90733  Sterimol/L: 17.8435 
 
 Surface and Volume Properties
  Accessible surface: 699.432  Positive charged surface: 525.488  Negative charged surface: 173.943  Volume: 397.5
  Hydrophobic surface: 654.709  Hydrophilic surface: 44.723
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.