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DocumentationIdentifier: MM305140
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305140 |
| SMILES |
CC(CC#CCO)N(C)C
|
| InChIKey |
WIVFLDSHACIUMU-UHFFFAOYSA-N
|
| MW [Da] |
141.21
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
MM81697
Similarity: 0.8182
Similarity to MM81697
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163069
Similarity: 0.7955
Similarity to MM163069
| Tanimoto metric | 0.7955 |
|---|---|
| Cosine metric | 0.8919 |
| Dice metric | 0.8861 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305138
Similarity: 0.7368
Similarity to MM305138
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8504 |
| Dice metric | 0.8485 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+763 more
