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ENAMINE-ZINC04218796

 MMsINC code: MMs01535825
Type: Neutral
Formula: C10H11FN2O5
SMILES:   FC1=CN(C2OCCC2)C(=O)N(CC(O)=O)C1=O
InChI:   InChI=1/C10H11FN2O5/c11-6-4-12(7-2-1-3-18-7)10(17)13(9(6)16)5-8(14)15/h4,7H,1-3,5H2,(H,14,15)/t7-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.8779 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.205 g/mol  logS: -1.1619  SlogP: 0.3915  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118946  Sterimol/B1: 3.1591  Sterimol/B2: 3.17301  Sterimol/B3: 3.18442
  Sterimol/B4: 6.41843  Sterimol/L: 11.5457 
 
 Surface and Volume Properties
  Accessible surface: 414.495  Positive charged surface: 260.64  Negative charged surface: 153.855  Volume: 206.375
  Hydrophobic surface: 251.547  Hydrophilic surface: 162.948
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs01535826
ENAMINE-ZINC04218796