Drug Information

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

  Structural Similarity Between NPASS Natural Products and NPD9762

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.


  Similar Natural Products

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

Drug Structure

External Identifiers

TTD   DAP000739
DrugBank   DB01005
ChEMBL   CHEMBL467
IUPHAR/BPS   6822
PharmaGKB   PA449942
KEGG Drug   D00341
PubChem CID   3657
ChEBI   44423
CAS Number  127-07-1

Drug Properties

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