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DocumentationIdentifier: MM320148
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM320148 |
| SMILES |
C#CC(C)C(F)(C#C)CO
|
| InChIKey |
GDDGGJZACTXQRU-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
MM139509
Similarity: 0.7803
Similarity to MM139509
| Tanimoto metric | 0.7803 |
|---|---|
| Cosine metric | 0.8833 |
| Dice metric | 0.8766 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM320075
Similarity: 0.7161
Similarity to MM320075
| Tanimoto metric | 0.7161 |
|---|---|
| Cosine metric | 0.8346 |
| Dice metric | 0.8346 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76614
Similarity: 0.6712
Similarity to MM76614
| Tanimoto metric | 0.6712 |
|---|---|
| Cosine metric | 0.806 |
| Dice metric | 0.8033 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+192 more
