Drug ID:   | NPD8565 |
Drug Name:   | |
Molecular Formula:   | C4H3FN2O |
Canonical SMILES:   | Fc1cnc(nc1)O |
Standard InCHI:   | InChI=1S/C4H3FN2O/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8) |
Standard InCHIKey:   | HPABFFGQPLJKBP-UHFFFAOYSA-N |
Max Developmental Stage:   | Clinical (unspecified phase) |
Max Developmental Stage Source:   | TTD |
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 |
---|---|---|
High Similarity | 0.8632 | NPC75844 |
Intermediate Similarity | 0.8333 | NPC326364 |
Intermediate Similarity | 0.8 | NPC163105 |
Intermediate Similarity | 0.7822 | NPC222061 |
Intermediate Similarity | 0.7732 | NPC476128 |
Intermediate Similarity | 0.7692 | NPC329046 |
Intermediate Similarity | 0.767 | NPC27699 |
Remote Similarity | 0.6379 | NPC68938 |
Remote Similarity | 0.6283 | NPC4837 |
Remote Similarity | 0.6283 | NPC312187 |
Remote Similarity | 0.6239 | NPC273327 |
Remote Similarity | 0.622 | NPC321929 |
Remote Similarity | 0.6126 | NPC476564 |
Remote Similarity | 0.6 | NPC174114 |
Remote Similarity | 0.6 | NPC87981 |
Remote Similarity | 0.5841 | NPC18335 |
Remote Similarity | 0.575 | NPC248627 |
Remote Similarity | 0.5692 | NPC57279 |
Remote Similarity | 0.5688 | NPC9639 |
Remote Similarity | 0.5664 | NPC476561 |
Remote Similarity | 0.5659 | NPC246193 |
Remote Similarity | 0.5659 | NPC104011 |
Remote Similarity | 0.5635 | NPC248007 |
Molecular Weight   | 114.02 |
ALogP   | 0.0194 |
MLogP   | 1.46 |
XLogP   | -0.04 |
HDA   | 2 |
HBD   | 1 |
Rotatable Bonds   | 2 |
TPSA   | 46.01 |
RO5 Violation   | 0 |