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DocumentationIdentifier: MM348475
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM348475 |
| SMILES |
C#CC(C)C(O)C(N)CF
|
| InChIKey |
XZDOUYDNBJPFIR-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
-0.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM73560
Similarity: 0.7095
Similarity to MM73560
| Tanimoto metric | 0.7095 |
|---|---|
| Cosine metric | 0.8423 |
| Dice metric | 0.83 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM297591
Similarity: 0.6885
Similarity to MM297591
| Tanimoto metric | 0.6885 |
|---|---|
| Cosine metric | 0.8163 |
| Dice metric | 0.8155 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159938
Similarity: 0.6824
Similarity to MM159938
| Tanimoto metric | 0.6824 |
|---|---|
| Cosine metric | 0.8261 |
| Dice metric | 0.8112 |
| MW: | 135.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+289 more
