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MMsINC code: MMs01725441

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-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=13.5983 kcal/mol

Physical Properties
Molecular Weight: 147.13 g/mol	logS: 0.64273	SlogP: -0.7369	Reactive groups: 0

Topological Properties
Globularity: 0.105363	Sterimol/B1: 2.57871	Sterimol/B2: 2.83209	Sterimol/B3: 3.13774
Sterimol/B4: 4.14185	Sterimol/L: 10.7834

Surface and Volume Properties
Accessible surface: 317.319	Positive charged surface: 197.595	Negative charged surface: 119.724	Volume: 127.75
Hydrophobic surface: 75.3661	Hydrophilic surface: 241.9529

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

MMs01725442
FDA-ZINC01482113