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DocumentationIdentifier: MM377167
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM377167 |
| SMILES |
C#CC(CCO)C(C)C#N
|
| InChIKey |
HDSNXFGGXLXDNZ-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
0.78
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178079
Similarity: 0.7447
Similarity to MM178079
| Tanimoto metric | 0.7447 |
|---|---|
| Cosine metric | 0.8629 |
| Dice metric | 0.8537 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377205
Similarity: 0.6863
Similarity to MM377205
| Tanimoto metric | 0.6863 |
|---|---|
| Cosine metric | 0.8175 |
| Dice metric | 0.814 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM331228
Similarity: 0.6596
Similarity to MM331228
| Tanimoto metric | 0.6596 |
|---|---|
| Cosine metric | 0.8121 |
| Dice metric | 0.7949 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+470 more
