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PUBCHEM-ZINC02609773

 MMsINC code: MMs02906802
Type: Neutral
Formula: C24H27NO5
SMILES:   O(CCCC(OCCN1C(=O)c2c(cccc2)C1=O)=O)c1cc(C)c(cc1)C(C)C
InChI:   InChI=1/C24H27NO5/c1-16(2)19-11-10-18(15-17(19)3)29-13-6-9-22(26)30-14-12-25-23(27)20-7-4-5-8-21(20)24(25)28/h4-5,7-8,10-11,15-16H,6,9,12-14H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.3009 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.482 g/mol  logS: -6.24959  SlogP: 4.11682  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.039429  Sterimol/B1: 2.39826  Sterimol/B2: 3.96336  Sterimol/B3: 5.52646
  Sterimol/B4: 7.4327  Sterimol/L: 20.2179 
 
 Surface and Volume Properties
  Accessible surface: 740.851  Positive charged surface: 479.791  Negative charged surface: 261.06  Volume: 403.625
  Hydrophobic surface: 590.648  Hydrophilic surface: 150.203
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.