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DocumentationIdentifier: MM47352
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM47352 |
| SMILES |
COC(C#CCN)C(C)F
|
| InChIKey |
MCCZSCIZMKNKJU-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
0.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM28131
Similarity: 0.7111
Similarity to MM28131
| Tanimoto metric | 0.7111 |
|---|---|
| Cosine metric | 0.8433 |
| Dice metric | 0.8312 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM201193
Similarity: 0.6519
Similarity to MM201193
| Tanimoto metric | 0.6519 |
|---|---|
| Cosine metric | 0.8074 |
| Dice metric | 0.7892 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM38615
Similarity: 0.6222
Similarity to MM38615
| Tanimoto metric | 0.6222 |
|---|---|
| Cosine metric | 0.7888 |
| Dice metric | 0.7671 |
| MW: | 116.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+339 more
