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DocumentationIdentifier: MM380124
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM380124 |
| SMILES |
CC#CC(NC)C(O)CC
|
| InChIKey |
ZDEHVIRHLAQRFR-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
0.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM197047
Similarity: 0.7708
Similarity to MM197047
| Tanimoto metric | 0.7708 |
|---|---|
| Cosine metric | 0.878 |
| Dice metric | 0.8706 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46179
Similarity: 0.7569
Similarity to MM46179
| Tanimoto metric | 0.7569 |
|---|---|
| Cosine metric | 0.87 |
| Dice metric | 0.8617 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46352
Similarity: 0.6871
Similarity to MM46352
| Tanimoto metric | 0.6871 |
|---|---|
| Cosine metric | 0.8155 |
| Dice metric | 0.8145 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+304 more
