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NCID-ZINC05758530

 MMsINC code: MMs02494764
Type: Neutral
Formula: C10H14ClFN2O6
SMILES:   ClC1(F)C(OC)N(C2OC(CO)C(O)C2)C(=O)NC1=O
InChI:   InChI=1/C10H14ClFN2O6/c1-19-8-10(11,12)7(17)13-9(18)14(8)6-2-4(16)5(3-15)20-6/h4-6,8,15-16H,2-3H2,1H3,(H,13,17,18)/t4-,5-,6-,8+,10+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.3139 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.681 g/mol  logS: -1.17169  SlogP: -0.6966  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.197369  Sterimol/B1: 2.56107  Sterimol/B2: 2.76782  Sterimol/B3: 5.54983
  Sterimol/B4: 6.08251  Sterimol/L: 12.5104 
 
 Surface and Volume Properties
  Accessible surface: 456.004  Positive charged surface: 269.558  Negative charged surface: 186.446  Volume: 241.375
  Hydrophobic surface: 166.479  Hydrophilic surface: 289.525
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  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.