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DocumentationIdentifier: MM348332
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM348332 |
| SMILES |
CC(C#N)C(C)C(F)CO
|
| InChIKey |
PNBJPJGKHUNDEQ-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
1.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160008
Similarity: 0.6942
Similarity to MM160008
| Tanimoto metric | 0.6942 |
|---|---|
| Cosine metric | 0.8332 |
| Dice metric | 0.8195 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159909
Similarity: 0.6694
Similarity to MM159909
| Tanimoto metric | 0.6694 |
|---|---|
| Cosine metric | 0.8182 |
| Dice metric | 0.802 |
| MW: | 134.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79815
Similarity: 0.6412
Similarity to MM79815
| Tanimoto metric | 0.6412 |
|---|---|
| Cosine metric | 0.7876 |
| Dice metric | 0.7814 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+202 more
