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COMGENEX-ZINC06728519

 MMsINC code: MMs01196481
Type: Neutral
Formula: C20H23FN2O5
SMILES:   Fc1cc2c([nH]cc2CN(C(=O)C2OC(=O)CC2)CC2OC(OC2)(C)C)cc1
InChI:   InChI=1/C20H23FN2O5/c1-20(2)26-11-14(28-20)10-23(19(25)17-5-6-18(24)27-17)9-12-8-22-16-4-3-13(21)7-15(12)16/h3-4,7-8,14,17,22H,5-6,9-11H2,1-2H3/t14-,17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.3841 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.411 g/mol  logS: -3.7951  SlogP: 2.7591  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130768  Sterimol/B1: 3.10784  Sterimol/B2: 3.24008  Sterimol/B3: 4.15019
  Sterimol/B4: 8.06794  Sterimol/L: 15.7126 
 
 Surface and Volume Properties
  Accessible surface: 613.059  Positive charged surface: 370.25  Negative charged surface: 239.568  Volume: 353.5
  Hydrophobic surface: 425.291  Hydrophilic surface: 187.768
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.