 |
| Ligand Name:
(4S)-2-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID |
| HET ID: 4CS |
PubChem:
126041,
137208342,
6993223
|
| DrugBank: - |
ChEMBL: CHEMBL1230264 |
| Canonical SMILES: OC(=O)[C@@H]1CCNC(=N1)C |
| Standard InChI: InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1 |
| Molecular Formula: C6H10N2O2 |
Mol. Weight: 142.1558 |
Heavy Atoms: 10 |
| Charge: 0 |
Is Chiral: True |
logP: -0.3843 |
| HBD: 2 |
HBA: 4 |
TPSA: 61.69 |
| #Bonds: 11 |
#Rotatable Bonds: 1 |
Shape Complexity: 0.6666667 |
| Stereocomplexity: 0.16666667 |
Ligand Type: Small Molecule |