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PUBCHEM-ZINC06524120

MMsINC code: MMs03782202

Type: Neutral
Formula: C9H10ClFN2O5
SMILES:   ClC1=CN(C2OC(CO)C(O)C2F)C(=O)NC1=O
InChI:   InChI=1/C9H10ClFN2O5/c10-3-1-13(9(17)12-7(3)16)8-5(11)6(15)4(2-14)18-8/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5+,6-,8-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=38.0419 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.639 g/mol  logS: -1.22871  SlogP: -0.4366  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0724262  Sterimol/B1: 3.08118  Sterimol/B2: 3.14058  Sterimol/B3: 4.02605
  Sterimol/B4: 5.48979  Sterimol/L: 12.4119 
 
 Surface and Volume Properties
  Accessible surface: 434.332  Positive charged surface: 234.406  Negative charged surface: 199.926  Volume: 209.125
  Hydrophobic surface: 196.226  Hydrophilic surface: 238.106
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.