Drug ID:   | NPD9070 |
Drug Name:   | |
Molecular Formula:   | C6H3ClN2O4 |
Canonical SMILES:   | O=N(=O)c1ccc(c(c1)N(=O)=O)Cl |
Standard InCHI:   | InChI=1S/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H |
Standard InCHIKey:   | VYZAHLCBVHPDDF-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 |
---|---|---|
Intermediate Similarity | 0.82 | NPC316435 |
Intermediate Similarity | 0.7129 | NPC240134 |
Remote Similarity | 0.6489 | NPC271732 |
Remote Similarity | 0.6404 | NPC313362 |
Remote Similarity | 0.6396 | NPC323726 |
Remote Similarity | 0.6392 | NPC301874 |
Remote Similarity | 0.6289 | NPC66775 |
Remote Similarity | 0.6286 | NPC262295 |
Remote Similarity | 0.6261 | NPC313810 |
Remote Similarity | 0.6226 | NPC297532 |
Remote Similarity | 0.621 | NPC321869 |
Remote Similarity | 0.6019 | NPC307456 |
Remote Similarity | 0.6017 | NPC44836 |
Remote Similarity | 0.6016 | NPC218710 |
Remote Similarity | 0.6 | NPC329358 |
Remote Similarity | 0.5946 | NPC476483 |
Remote Similarity | 0.5905 | NPC15839 |
Remote Similarity | 0.5872 | NPC315403 |
Remote Similarity | 0.5854 | NPC322735 |
Remote Similarity | 0.584 | NPC125416 |
Remote Similarity | 0.5833 | NPC43655 |
Remote Similarity | 0.5806 | NPC329190 |
Remote Similarity | 0.5781 | NPC317564 |
Remote Similarity | 0.5755 | NPC134825 |
Remote Similarity | 0.5727 | NPC107135 |
Remote Similarity | 0.5676 | NPC92689 |
Remote Similarity | 0.5648 | NPC229477 |
Molecular Weight   | 201.98 |
ALogP   | 2.0645 |
MLogP   | 1.35 |
XLogP   | 2.666 |
HDA   | 0 |
HBD   | 0 |
Rotatable Bonds   | 5 |
TPSA   | 86.28 |
RO5 Violation   | 0 |