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DocumentationIdentifier: MM294621
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM294621 |
| SMILES |
CC#CC#CC(C)C(C)F
|
| InChIKey |
MQVFAFDLBNKPGM-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
MM163534
Similarity: 0.8977
Similarity to MM163534
| Tanimoto metric | 0.8977 |
|---|---|
| Cosine metric | 0.9475 |
| Dice metric | 0.9461 |
| MW: | 124.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM433706
Similarity: 0.7766
Similarity to MM433706
| Tanimoto metric | 0.7766 |
|---|---|
| Cosine metric | 0.8755 |
| Dice metric | 0.8743 |
| MW: | 138.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358093
Similarity: 0.7524
Similarity to MM358093
| Tanimoto metric | 0.7524 |
|---|---|
| Cosine metric | 0.8595 |
| Dice metric | 0.8587 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+559 more
