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DocumentationIdentifier: MM293749
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM293749 |
| SMILES |
C#CCC(F)C(=O)CC#N
|
| InChIKey |
CMXMWZIBSJPQKF-UHFFFAOYSA-N
|
| MW [Da] |
139.13
Automatically obtained from RDkit software. |
| LogP |
0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172651
Similarity: 0.7459
Similarity to MM172651
| Tanimoto metric | 0.7459 |
|---|---|
| Cosine metric | 0.8637 |
| Dice metric | 0.8545 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108318
Similarity: 0.5738
Similarity to MM108318
| Tanimoto metric | 0.5738 |
|---|---|
| Cosine metric | 0.7575 |
| Dice metric | 0.7292 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM02197
Similarity: 0.5656
Similarity to MM02197
| Tanimoto metric | 0.5656 |
|---|---|
| Cosine metric | 0.752 |
| Dice metric | 0.7225 |
| MW: | 115.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+96 more
