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DocumentationIdentifier: MM132653
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM132653 |
| SMILES |
C#CCC(C)(F)C(C)O
|
| InChIKey |
UJSLSWUTZSZJPY-UHFFFAOYSA-N
|
| MW [Da] |
130.16
Automatically obtained from RDkit software. |
| LogP |
1.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM61725
Similarity: 0.8102
Similarity to MM61725
| Tanimoto metric | 0.8102 |
|---|---|
| Cosine metric | 0.9001 |
| Dice metric | 0.8952 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15336
Similarity: 0.7462
Similarity to MM15336
| Tanimoto metric | 0.7462 |
|---|---|
| Cosine metric | 0.8548 |
| Dice metric | 0.8546 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM222431
Similarity: 0.74
Similarity to MM222431
| Tanimoto metric | 0.74 |
|---|---|
| Cosine metric | 0.8602 |
| Dice metric | 0.8506 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+294 more
