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DocumentationIdentifier: MM305902
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305902 |
| SMILES |
CC#CC(OC=O)C(C)N
|
| InChIKey |
LJXUCNWUMPMXMW-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178368
Similarity: 0.6389
Similarity to MM178368
| Tanimoto metric | 0.6389 |
|---|---|
| Cosine metric | 0.7993 |
| Dice metric | 0.7797 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377136
Similarity: 0.6348
Similarity to MM377136
| Tanimoto metric | 0.6348 |
|---|---|
| Cosine metric | 0.7767 |
| Dice metric | 0.7766 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM232070
Similarity: 0.6188
Similarity to MM232070
| Tanimoto metric | 0.6188 |
|---|---|
| Cosine metric | 0.7646 |
| Dice metric | 0.7645 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+55 more
