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NCID-ZINC05823877

 MMsINC code: MMs02502982
Type: Neutral
Formula: C11H16ClFN2O5
SMILES:   ClC1(C)C(OC)N(C2OC(CO)C(F)C2)C(=O)NC1=O
InChI:   InChI=1/C11H16ClFN2O5/c1-11(12)8(17)14-10(18)15(9(11)19-2)7-3-5(13)6(4-16)20-7/h5-7,9,16H,3-4H2,1-2H3,(H,14,17,18)/t5-,6-,7-,9-,11-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=15.042 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.709 g/mol  logS: -1.64548  SlogP: 0.7934  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.29142  Sterimol/B1: 2.1212  Sterimol/B2: 3.47664  Sterimol/B3: 5.58821
  Sterimol/B4: 5.94175  Sterimol/L: 12.3318 
 
 Surface and Volume Properties
  Accessible surface: 469.016  Positive charged surface: 293.568  Negative charged surface: 175.448  Volume: 250.75
  Hydrophobic surface: 219.725  Hydrophilic surface: 249.291
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.