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DocumentationIdentifier: MM197047
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM197047 |
| SMILES |
C#CC(NC)C(O)CC
|
| InChIKey |
MJHSXQIMYMUFNW-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
-0.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM46352
Similarity: 0.8473
Similarity to MM46352
| Tanimoto metric | 0.8473 |
|---|---|
| Cosine metric | 0.9205 |
| Dice metric | 0.9174 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47399
Similarity: 0.7929
Similarity to MM47399
| Tanimoto metric | 0.7929 |
|---|---|
| Cosine metric | 0.8904 |
| Dice metric | 0.8845 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM380124
Similarity: 0.7708
Similarity to MM380124
| Tanimoto metric | 0.7708 |
|---|---|
| Cosine metric | 0.878 |
| Dice metric | 0.8706 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+550 more
