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DocumentationIdentifier: MM306801
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM306801 |
| SMILES |
C#CC(O)(C#C)C(F)C#N
|
| InChIKey |
GDIVKGAJBAANTB-UHFFFAOYSA-N
|
| MW [Da] |
137.11
Automatically obtained from RDkit software. |
| LogP |
-0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41603
Similarity: 0.8649
Similarity to MM41603
| Tanimoto metric | 0.8649 |
|---|---|
| Cosine metric | 0.93 |
| Dice metric | 0.9275 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139963
Similarity: 0.6892
Similarity to MM139963
| Tanimoto metric | 0.6892 |
|---|---|
| Cosine metric | 0.8302 |
| Dice metric | 0.816 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM228893
Similarity: 0.6432
Similarity to MM228893
| Tanimoto metric | 0.6432 |
|---|---|
| Cosine metric | 0.7864 |
| Dice metric | 0.7829 |
| MW: | 145.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+36 more
