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DocumentationIdentifier: MM234176
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM234176 |
| SMILES |
CC#CC(C)(F)CCC#N
|
| InChIKey |
OUOQVJNABHPHDW-UHFFFAOYSA-N
|
| MW [Da] |
139.17
Automatically obtained from RDkit software. |
| LogP |
2.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132502
Similarity: 0.7788
Similarity to MM132502
| Tanimoto metric | 0.7788 |
|---|---|
| Cosine metric | 0.8825 |
| Dice metric | 0.8756 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM138509
Similarity: 0.7611
Similarity to MM138509
| Tanimoto metric | 0.7611 |
|---|---|
| Cosine metric | 0.8724 |
| Dice metric | 0.8643 |
| MW: | 125.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM234395
Similarity: 0.7252
Similarity to MM234395
| Tanimoto metric | 0.7252 |
|---|---|
| Cosine metric | 0.8407 |
| Dice metric | 0.8407 |
| MW: | 139.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+455 more
