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ASINEX-ZINC04185492

 MMsINC code: MMs00316008
Type: Neutral
Formula: C13H16ClF2NO5
SMILES:   ClC(F)(F)Oc1ccc(NC2OC(C)C(O)C(O)C2O)cc1
InChI:   InChI=1/C13H16ClF2NO5/c1-6-9(18)10(19)11(20)12(21-6)17-7-2-4-8(5-3-7)22-13(14,15)16/h2-6,9-12,17-20H,1H3/t6-,9+,10-,11-,12+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=111.49 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.722 g/mol  logS: -2.70406  SlogP: 1.5138  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.069401  Sterimol/B1: 2.24185  Sterimol/B2: 3.36875  Sterimol/B3: 3.76191
  Sterimol/B4: 6.7304  Sterimol/L: 15.9385 
 
 Surface and Volume Properties
  Accessible surface: 517.448  Positive charged surface: 255.551  Negative charged surface: 261.898  Volume: 269.125
  Hydrophobic surface: 216.548  Hydrophilic surface: 300.9
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.