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ENAMINE-ZINC04218796

 MMsINC code: MMs01535826
Type: Ionized
Formula: C10H10FN2O5-
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)/p-1/t7-/m0/s1

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Drug Similarity  
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Potential Energy
Epot(MMFF94)=16.2081 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.197 g/mol  logS: -1.42235  SlogP: -0.9432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118815  Sterimol/B1: 2.91172  Sterimol/B2: 3.2058  Sterimol/B3: 3.68504
  Sterimol/B4: 6.8739  Sterimol/L: 11.4601 
 
 Surface and Volume Properties
  Accessible surface: 423.451  Positive charged surface: 233.53  Negative charged surface: 189.921  Volume: 205.25
  Hydrophobic surface: 269.645  Hydrophilic surface: 153.806
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 2  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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Parent related molecule:


MMs01535825
ENAMINE-ZINC04218796