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DocumentationIdentifier: MM234388
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM234388 |
| SMILES |
COCC(C)(N)C#CCF
|
| InChIKey |
ZMJVDAJVXKDNKF-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
MM57274
Similarity: 0.7899
Similarity to MM57274
| Tanimoto metric | 0.7899 |
|---|---|
| Cosine metric | 0.8888 |
| Dice metric | 0.8826 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM138985
Similarity: 0.7647
Similarity to MM138985
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8667 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM234386
Similarity: 0.6912
Similarity to MM234386
| Tanimoto metric | 0.6912 |
|---|---|
| Cosine metric | 0.8179 |
| Dice metric | 0.8174 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+307 more
