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DocumentationIdentifier: MM224987
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM224987 |
| SMILES |
C#CC(=O)NCC(C)(C)O
|
| InChIKey |
JVYZUSUJZGNKOA-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144785
Similarity: 0.8034
Similarity to MM144785
| Tanimoto metric | 0.8034 |
|---|---|
| Cosine metric | 0.8963 |
| Dice metric | 0.891 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130417
Similarity: 0.7436
Similarity to MM130417
| Tanimoto metric | 0.7436 |
|---|---|
| Cosine metric | 0.8623 |
| Dice metric | 0.8529 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317299
Similarity: 0.6912
Similarity to MM317299
| Tanimoto metric | 0.6912 |
|---|---|
| Cosine metric | 0.8175 |
| Dice metric | 0.8174 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+304 more
