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DocumentationIdentifier: MM44910
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM44910 |
| SMILES |
C#CC(C#C)(CC#N)NC
|
| InChIKey |
GSFBRXFXNFREDY-UHFFFAOYSA-N
|
| MW [Da] |
132.17
Automatically obtained from RDkit software. |
| LogP |
0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM44343
Similarity: 0.593
Similarity to MM44343
| Tanimoto metric | 0.593 |
|---|---|
| Cosine metric | 0.7526 |
| Dice metric | 0.7445 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM27915
Similarity: 0.5872
Similarity to MM27915
| Tanimoto metric | 0.5872 |
|---|---|
| Cosine metric | 0.7476 |
| Dice metric | 0.7399 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46592
Similarity: 0.578
Similarity to MM46592
| Tanimoto metric | 0.578 |
|---|---|
| Cosine metric | 0.7402 |
| Dice metric | 0.7326 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+47 more
