Drug ID:   | NPD9475 |
Drug Name:   | |
Molecular Formula:   | C8H7Cl2NO2 |
Canonical SMILES:   | COC(=Nc1ccc(c(c1)Cl)Cl)O |
Standard InCHI:   | InChI=1S/C8H7Cl2NO2/c1-13-8(12)11-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H,11,12) |
Standard InCHIKey:   | WOZQBERUBLYCEG-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 | 0.8365 | NPC313810 |
Intermediate Similarity | 0.7879 | NPC240134 |
Intermediate Similarity | 0.7245 | NPC307456 |
Intermediate Similarity | 0.71 | NPC15839 |
Remote Similarity | 0.6757 | NPC316435 |
Remote Similarity | 0.6701 | NPC66775 |
Remote Similarity | 0.6636 | NPC78154 |
Remote Similarity | 0.6604 | NPC297532 |
Remote Similarity | 0.648 | NPC317564 |
Remote Similarity | 0.6455 | NPC476483 |
Remote Similarity | 0.6392 | NPC271732 |
Remote Similarity | 0.6343 | NPC313352 |
Remote Similarity | 0.633 | NPC92689 |
Remote Similarity | 0.616 | NPC125416 |
Remote Similarity | 0.6139 | NPC301874 |
Remote Similarity | 0.6064 | NPC134584 |
Remote Similarity | 0.6017 | NPC474430 |
Remote Similarity | 0.6014 | NPC473874 |
Remote Similarity | 0.5981 | NPC134825 |
Remote Similarity | 0.595 | NPC76327 |
Remote Similarity | 0.592 | NPC264782 |
Remote Similarity | 0.5896 | NPC469949 |
Remote Similarity | 0.5882 | NPC178681 |
Remote Similarity | 0.5882 | NPC471310 |
Remote Similarity | 0.5872 | NPC229477 |
Remote Similarity | 0.5854 | NPC255721 |
Remote Similarity | 0.5806 | NPC9336 |
Remote Similarity | 0.5804 | NPC107135 |
Remote Similarity | 0.5766 | NPC43655 |
Remote Similarity | 0.5763 | NPC75496 |
Remote Similarity | 0.5714 | NPC30445 |
Remote Similarity | 0.5714 | NPC111233 |
Remote Similarity | 0.5674 | NPC325599 |
Remote Similarity | 0.5664 | NPC315403 |
Remote Similarity | 0.5625 | NPC262295 |
Molecular Weight   | 218.99 |
ALogP   | 2.0601 |
MLogP   | 1.79 |
XLogP   | 2.992 |
HDA   | 3 |
HBD   | 1 |
Rotatable Bonds   | 6 |
TPSA   | 41.82 |
RO5 Violation   | 0 |