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NCID-ZINC05808077

 MMsINC code: MMs02498136
Type: Neutral
Formula: C9H10ClFN2O4
SMILES:   ClC1=CN(C2OC(CC2F)CO)C(=O)NC1=O
InChI:   InChI=1/C9H10ClFN2O4/c10-5-2-13(9(16)12-7(5)15)8-6(11)1-4(3-14)17-8/h2,4,6,8,14H,1,3H2,(H,12,15,16)/t4-,6-,8+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.4291 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.64 g/mol  logS: -1.63302  SlogP: 0.5926  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0732963  Sterimol/B1: 3.04738  Sterimol/B2: 3.19125  Sterimol/B3: 4.1597
  Sterimol/B4: 5.33103  Sterimol/L: 12.3796 
 
 Surface and Volume Properties
  Accessible surface: 421.523  Positive charged surface: 231.802  Negative charged surface: 189.721  Volume: 204.5
  Hydrophobic surface: 228.217  Hydrophilic surface: 193.306
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.