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CHEMDIV-ZINC03108280

MMsINC code: MMs00909802

Type: Neutral
Formula: C23H24O5
SMILES:   O1c2c(ccc(OC(=O)c3ccc(OCCCCCC)cc3)c2)C(=CC1=O)C
InChI:   InChI=1/C23H24O5/c1-3-4-5-6-13-26-18-9-7-17(8-10-18)23(25)27-19-11-12-20-16(2)14-22(24)28-21(20)15-19/h7-12,14-15H,3-6,13H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=102.497 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.44 g/mol  logS: -7.34048  SlogP: 5.1872  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0230691  Sterimol/B1: 3.19486  Sterimol/B2: 3.72768  Sterimol/B3: 4.31017
  Sterimol/B4: 5.60891  Sterimol/L: 23.9839 
 
 Surface and Volume Properties
  Accessible surface: 706.236  Positive charged surface: 445.216  Negative charged surface: 261.02  Volume: 371.5
  Hydrophobic surface: 579.251  Hydrophilic surface: 126.985
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.