Drug ID:   | NPD9499 |
Drug Name:   | |
Molecular Formula:   | C8H9ClN2O2S |
Canonical SMILES:   | CC1Nc2ccc(cc2S(=O)(=O)N1)Cl |
Standard InCHI:   | InChI=1S/C8H9ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-5,10-11H,1H3 |
Standard InCHIKey:   | VZRNTCHTJRLTMU-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 | 0.8308 | NPC321053 |
Intermediate Similarity | 0.7252 | NPC125416 |
Remote Similarity | 0.685 | NPC328877 |
Remote Similarity | 0.675 | NPC315403 |
Remote Similarity | 0.6525 | NPC134825 |
Remote Similarity | 0.6423 | NPC218710 |
Remote Similarity | 0.6311 | NPC43655 |
Remote Similarity | 0.6281 | NPC229477 |
Remote Similarity | 0.626 | NPC297532 |
Remote Similarity | 0.6233 | NPC469949 |
Remote Similarity | 0.621 | NPC107135 |
Remote Similarity | 0.6165 | NPC313362 |
Remote Similarity | 0.6015 | NPC474430 |
Remote Similarity | 0.5946 | NPC252794 |
Remote Similarity | 0.594 | NPC291610 |
Remote Similarity | 0.5932 | NPC35599 |
Remote Similarity | 0.5867 | NPC328590 |
Remote Similarity | 0.5833 | NPC317642 |
Remote Similarity | 0.5828 | NPC473417 |
Remote Similarity | 0.5827 | NPC240134 |
Remote Similarity | 0.575 | NPC320863 |
Remote Similarity | 0.5749 | NPC469897 |
Remote Similarity | 0.5705 | NPC325599 |
Remote Similarity | 0.5704 | NPC314141 |
Remote Similarity | 0.5695 | NPC145754 |
Remote Similarity | 0.5683 | NPC302790 |
Remote Similarity | 0.5655 | NPC31651 |
Remote Similarity | 0.5649 | NPC476687 |
Remote Similarity | 0.5649 | NPC476689 |
Remote Similarity | 0.5649 | NPC476685 |
Remote Similarity | 0.563 | NPC326792 |
Remote Similarity | 0.5608 | NPC475915 |
Molecular Weight   | 232.01 |
ALogP   | -0.1393 |
MLogP   | 1.68 |
XLogP   | 1.113 |
HDA   | 4 |
HBD   | 2 |
Rotatable Bonds   | 2 |
TPSA   | 66.58 |
RO5 Violation   | 0 |