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DocumentationIdentifier: MM15345
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15345 |
| SMILES |
C#CC(C#C)C(C)(F)CO
|
| InChIKey |
NRIJUTQGJMBFGM-UHFFFAOYSA-N
|
| MW [Da] |
140.16
Automatically obtained from RDkit software. |
| LogP |
0.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM76614
Similarity: 0.7778
Similarity to MM76614
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.875 |
| Dice metric | 0.875 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53343
Similarity: 0.7232
Similarity to MM53343
| Tanimoto metric | 0.7232 |
|---|---|
| Cosine metric | 0.8504 |
| Dice metric | 0.8394 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242636
Similarity: 0.7101
Similarity to MM242636
| Tanimoto metric | 0.7101 |
|---|---|
| Cosine metric | 0.8316 |
| Dice metric | 0.8305 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+157 more
