Drug ID:   | NPD8232 |
Drug Name:   | Lesogaberan |
Molecular Formula:   | C3H9FNO2P |
Canonical SMILES:   | NC[C@H](CP(=O)O)F |
Standard InCHI:   | InChI=1S/C3H9FNO2P/c4-3(1-5)2-8(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1 |
Standard InCHIKey:   | LJNUIEQATDYXJH-GSVOUGTGSA-N |
Max Developmental Stage:   | Phase 2 |
Max Developmental Stage Source:   | ChEMBL |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
Molecular Weight   | 141.04 |
ALogP   | -0.9732 |
MLogP   | 1.24 |
XLogP   | -1.124 |
HDA   | 3 |
HBD   | 2 |
Rotatable Bonds   | 6 |
TPSA   | 86.79 |
RO5 Violation   | 0 |