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CHEMBLOCK-ZINC04754140

 MMsINC code: MMs00577539
Type: Neutral
Formula: C20H21FN2O5
SMILES:   Fc1ccc(NC(=O)CN2Cc3cc(OC)c(OC)cc3CC2C(O)=O)cc1
InChI:   InChI=1/C20H21FN2O5/c1-27-17-8-12-7-16(20(25)26)23(10-13(12)9-18(17)28-2)11-19(24)22-15-5-3-14(21)4-6-15/h3-6,8-9,16H,7,10-11H2,1-2H3,(H,22,24)(H,25,26)/t16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=145.049 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.395 g/mol  logS: -3.82821  SlogP: 2.55927  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.077511  Sterimol/B1: 3.0333  Sterimol/B2: 4.81134  Sterimol/B3: 6.3748
  Sterimol/B4: 7.07777  Sterimol/L: 17.9735 
 
 Surface and Volume Properties
  Accessible surface: 644.931  Positive charged surface: 435.329  Negative charged surface: 209.602  Volume: 346.125
  Hydrophobic surface: 503.365  Hydrophilic surface: 141.566
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.