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DocumentationIdentifier: MM15348
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15348 |
| SMILES |
C#CC(C)(C#C)C(F)CO
|
| InChIKey |
PCQSLHSJZFMXBR-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
MM53343
Similarity: 0.75
Similarity to MM53343
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139960
Similarity: 0.6852
Similarity to MM139960
| Tanimoto metric | 0.6852 |
|---|---|
| Cosine metric | 0.8278 |
| Dice metric | 0.8132 |
| MW: | 124.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111634
Similarity: 0.6389
Similarity to MM111634
| Tanimoto metric | 0.6389 |
|---|---|
| Cosine metric | 0.7993 |
| Dice metric | 0.7797 |
| MW: | 116.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+359 more
