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DocumentationIdentifier: MM380168
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM380168 |
| SMILES |
C#CC(F)C(C#CC)CO
|
| InChIKey |
MHPZXTRMABJVOW-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
MM413439
Similarity: 0.7786
Similarity to MM413439
| Tanimoto metric | 0.7786 |
|---|---|
| Cosine metric | 0.8756 |
| Dice metric | 0.8755 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM197074
Similarity: 0.754
Similarity to MM197074
| Tanimoto metric | 0.754 |
|---|---|
| Cosine metric | 0.8683 |
| Dice metric | 0.8597 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM396081
Similarity: 0.6875
Similarity to MM396081
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8154 |
| Dice metric | 0.8148 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+137 more
