Drug ID:   | NPD9245 |
Drug Name:   | |
Molecular Formula:   | C7H5ClN2O |
Canonical SMILES:   | Clc1ccc2c(c1)[nH]c(=N)o2 |
Standard InCHI:   | InChI=1S/C7H5ClN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10) |
Standard InCHIKey:   | YGCODSQDUUUKIV-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 | 0.7051 | NPC473874 |
Remote Similarity | 0.6883 | NPC476475 |
Remote Similarity | 0.6643 | NPC226914 |
Remote Similarity | 0.663 | NPC469961 |
Remote Similarity | 0.6496 | NPC311660 |
Remote Similarity | 0.6467 | NPC315632 |
Remote Similarity | 0.6452 | NPC208022 |
Remote Similarity | 0.6389 | NPC264782 |
Remote Similarity | 0.6335 | NPC476462 |
Remote Similarity | 0.6316 | NPC257763 |
Remote Similarity | 0.6296 | NPC168750 |
Remote Similarity | 0.6258 | NPC260601 |
Remote Similarity | 0.6218 | NPC473987 |
Remote Similarity | 0.6203 | NPC297584 |
Remote Similarity | 0.6115 | NPC70201 |
Remote Similarity | 0.6111 | NPC255721 |
Remote Similarity | 0.6111 | NPC47986 |
Remote Similarity | 0.5986 | NPC256838 |
Remote Similarity | 0.5912 | NPC473432 |
Remote Similarity | 0.5912 | NPC286195 |
Remote Similarity | 0.5896 | NPC315257 |
Remote Similarity | 0.5889 | NPC73280 |
Remote Similarity | 0.587 | NPC197335 |
Remote Similarity | 0.5857 | NPC317642 |
Remote Similarity | 0.5851 | NPC242928 |
Remote Similarity | 0.5849 | NPC471306 |
Remote Similarity | 0.5849 | NPC471321 |
Remote Similarity | 0.5838 | NPC314659 |
Remote Similarity | 0.5833 | NPC85482 |
Remote Similarity | 0.5828 | NPC125416 |
Remote Similarity | 0.582 | NPC471593 |
Remote Similarity | 0.5819 | NPC118511 |
Remote Similarity | 0.581 | NPC1527 |
Remote Similarity | 0.5806 | NPC156059 |
Remote Similarity | 0.5784 | NPC474798 |
Remote Similarity | 0.5763 | NPC315498 |
Remote Similarity | 0.5763 | NPC230942 |
Remote Similarity | 0.5753 | NPC76327 |
Remote Similarity | 0.5732 | NPC237227 |
Remote Similarity | 0.5723 | NPC13397 |
Remote Similarity | 0.5714 | NPC232872 |
Remote Similarity | 0.5706 | NPC473769 |
Remote Similarity | 0.5698 | NPC70172 |
Remote Similarity | 0.5679 | NPC313466 |
Remote Similarity | 0.5677 | NPC79213 |
Remote Similarity | 0.5668 | NPC471785 |
Remote Similarity | 0.565 | NPC301163 |
Remote Similarity | 0.5638 | NPC9336 |
Remote Similarity | 0.5613 | NPC321869 |
Molecular Weight   | 168.01 |
ALogP   | 0.8185 |
MLogP   | 1.79 |
XLogP   | 2.513 |
HDA   | 2 |
HBD   | 2 |
Rotatable Bonds   | 1 |
TPSA   | 45.11 |
RO5 Violation   | 0 |