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DocumentationIdentifier: MM236140
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM236140 |
| SMILES |
CC(C)C#CC#CC(C)F
|
| InChIKey |
JYMADOYMQRBBDT-UHFFFAOYSA-N
|
| MW [Da] |
138.19
Automatically obtained from RDkit software. |
| LogP |
2.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM233014
Similarity: 0.8955
Similarity to MM233014
| Tanimoto metric | 0.8955 |
|---|---|
| Cosine metric | 0.9463 |
| Dice metric | 0.9449 |
| MW: | 138.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM233017
Similarity: 0.8406
Similarity to MM233017
| Tanimoto metric | 0.8406 |
|---|---|
| Cosine metric | 0.9148 |
| Dice metric | 0.9134 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM131961
Similarity: 0.8358
Similarity to MM131961
| Tanimoto metric | 0.8358 |
|---|---|
| Cosine metric | 0.9108 |
| Dice metric | 0.9106 |
| MW: | 124.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+650 more
