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DocumentationIdentifier: MM64993
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM64993 |
| SMILES |
C#CC(C)NC(=O)CC#N
|
| InChIKey |
NXFJHUYXWTVCLF-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142471
Similarity: 0.7876
Similarity to MM142471
| Tanimoto metric | 0.7876 |
|---|---|
| Cosine metric | 0.8875 |
| Dice metric | 0.8812 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156620
Similarity: 0.7434
Similarity to MM156620
| Tanimoto metric | 0.7434 |
|---|---|
| Cosine metric | 0.8622 |
| Dice metric | 0.8528 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM330806
Similarity: 0.7295
Similarity to MM330806
| Tanimoto metric | 0.7295 |
|---|---|
| Cosine metric | 0.8457 |
| Dice metric | 0.8436 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+304 more
