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APOLLO-ZINC04329344

 MMsINC code: MMs00059067
Type: Neutral
Formula: C5H9FN2O3
SMILES:   FC(N)(CCC(=O)N)C(O)=O
InChI:   InChI=1/C5H9FN2O3/c6-5(8,4(10)11)2-1-3(7)9/h1-2,8H2,(H2,7,9)(H,10,11)/t5-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.872 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 164.136 g/mol  logS: -0.01964  SlogP: -0.6191  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102729  Sterimol/B1: 2.96436  Sterimol/B2: 3.11871  Sterimol/B3: 3.55495
  Sterimol/B4: 3.56495  Sterimol/L: 10.9393 
 
 Surface and Volume Properties
  Accessible surface: 330.952  Positive charged surface: 196.268  Negative charged surface: 134.684  Volume: 134.125
  Hydrophobic surface: 53.3001  Hydrophilic surface: 277.6519
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs00059068
APOLLO-ZINC04329344