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FDA-ZINC00895124

 MMsINC code: MMs01725268
Type: Neutral
Formula: C5H9NO4
SMILES:   OC(=O)C(N)CCC(O)=O
InChI:   InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.3481 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 147.13 g/mol  logS: 0.64273  SlogP: -0.7369  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101712  Sterimol/B1: 2.59803  Sterimol/B2: 2.96521  Sterimol/B3: 3.13967
  Sterimol/B4: 4.08157  Sterimol/L: 10.7176 
 
 Surface and Volume Properties
  Accessible surface: 322.534  Positive charged surface: 207.038  Negative charged surface: 115.497  Volume: 128.625
  Hydrophobic surface: 78.2306  Hydrophilic surface: 244.3034
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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


MMs01725269
FDA-ZINC00895124