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DocumentationIdentifier: MM228473
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM228473 |
| SMILES |
CC(N)C#CC(C)(C)CF
|
| InChIKey |
JAFMTMBNEWKNNC-UHFFFAOYSA-N
|
| MW [Da] |
143.21
Automatically obtained from RDkit software. |
| LogP |
1.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM145888
Similarity: 0.8235
Similarity to MM145888
| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9075 |
| Dice metric | 0.9032 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM138977
Similarity: 0.7765
Similarity to MM138977
| Tanimoto metric | 0.7765 |
|---|---|
| Cosine metric | 0.8812 |
| Dice metric | 0.8742 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM225188
Similarity: 0.7216
Similarity to MM225188
| Tanimoto metric | 0.7216 |
|---|---|
| Cosine metric | 0.8385 |
| Dice metric | 0.8383 |
| MW: | 143.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+627 more
