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CHEMDIV-ZINC05058792

 MMsINC code: MMs00985970
Type: Neutral
Formula: C24H33NO5
SMILES:   O1C2(CCC(CC2)C)C(C(=O)NCCc2cc(OCC)c(OCC)cc2)=C(C)C1=O
InChI:   InChI=1/C24H33NO5/c1-5-28-19-8-7-18(15-20(19)29-6-2)11-14-25-22(26)21-17(4)23(27)30-24(21)12-9-16(3)10-13-24/h7-8,15-16H,5-6,9-14H2,1-4H3,(H,25,26)/t16-,24-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.8279 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 415.53 g/mol  logS: -5.42339  SlogP: 3.96487  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145055  Sterimol/B1: 3.46427  Sterimol/B2: 3.56449  Sterimol/B3: 6.44818
  Sterimol/B4: 6.77624  Sterimol/L: 19.0569 
 
 Surface and Volume Properties
  Accessible surface: 737.419  Positive charged surface: 522.568  Negative charged surface: 214.852  Volume: 416.625
  Hydrophobic surface: 588.241  Hydrophilic surface: 149.178
 
 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.