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ENAMINE-ZINC05753674

 MMsINC code: MMs01637597
Type: Neutral
Formula: C20H27FO5
SMILES:   Fc1cc(OCC(OCC(OC2CC(CCC2C(C)C)C)=O)=O)ccc1
InChI:   InChI=1/C20H27FO5/c1-13(2)17-8-7-14(3)9-18(17)26-20(23)12-25-19(22)11-24-16-6-4-5-15(21)10-16/h4-6,10,13-14,17-18H,7-9,11-12H2,1-3H3/t14-,17+,18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.0961 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.429 g/mol  logS: -5.76515  SlogP: 3.7517  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0435711  Sterimol/B1: 2.15589  Sterimol/B2: 3.41527  Sterimol/B3: 4.28898
  Sterimol/B4: 9.13989  Sterimol/L: 19.673 
 
 Surface and Volume Properties
  Accessible surface: 670.463  Positive charged surface: 427.864  Negative charged surface: 242.598  Volume: 355.75
  Hydrophobic surface: 528.18  Hydrophilic surface: 142.283
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.