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DocumentationIdentifier: MM46179
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM46179 |
| SMILES |
CC#CC(NC)C(C)O
|
| InChIKey |
VYGBHAYPZVRYFS-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
MM24852
Similarity: 0.8258
Similarity to MM24852
| Tanimoto metric | 0.8258 |
|---|---|
| Cosine metric | 0.9087 |
| Dice metric | 0.9046 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM396135
Similarity: 0.8015
Similarity to MM396135
| Tanimoto metric | 0.8015 |
|---|---|
| Cosine metric | 0.8952 |
| Dice metric | 0.8898 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM380124
Similarity: 0.7569
Similarity to MM380124
| Tanimoto metric | 0.7569 |
|---|---|
| Cosine metric | 0.87 |
| Dice metric | 0.8617 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+577 more
