Drug ID:   | NPD9762 |
Drug Name:   | Hydroxyurea |
Molecular Formula:   | CH4N2O2 |
Canonical SMILES:   | ONC(=N)O |
Standard InCHI:   | InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4) |
Standard InCHIKey:   | VSNHCAURESNICA-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | TTD; ChEMBL; IUPHAR/BPS |
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.
High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7
Similarity Level | Similarity Score | Natural Product ID |
---|---|---|
Intermediate Similarity | 0.8333 | NPC142330 |
Molecular Weight   | 76.03 |
ALogP   | -0.5348 |
MLogP   | 1.13 |
XLogP   | -0.104 |
HDA   | 2 |
HBD   | 4 |
Rotatable Bonds   | 3 |
TPSA   | 76.34 |
RO5 Violation   | 0 |