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DocumentationIdentifier: MM222431
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM222431 |
| SMILES |
C#CCC(C)(F)C(C)(C)O
|
| InChIKey |
BTWPZMSFGATISF-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
1.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132653
Similarity: 0.74
Similarity to MM132653
| Tanimoto metric | 0.74 |
|---|---|
| Cosine metric | 0.8602 |
| Dice metric | 0.8506 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130996
Similarity: 0.7067
Similarity to MM130996
| Tanimoto metric | 0.7067 |
|---|---|
| Cosine metric | 0.8406 |
| Dice metric | 0.8281 |
| MW: | 134.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132063
Similarity: 0.66
Similarity to MM132063
| Tanimoto metric | 0.66 |
|---|---|
| Cosine metric | 0.8124 |
| Dice metric | 0.7952 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+146 more
