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DocumentationIdentifier: MM35329
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM35329 |
| SMILES |
C#CC(C)(C=O)NCC#N
|
| InChIKey |
XROOLNFHTQLPEJ-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
-0.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM46732
Similarity: 0.7381
Similarity to MM46732
| Tanimoto metric | 0.7381 |
|---|---|
| Cosine metric | 0.8504 |
| Dice metric | 0.8493 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46003
Similarity: 0.7323
Similarity to MM46003
| Tanimoto metric | 0.7323 |
|---|---|
| Cosine metric | 0.8463 |
| Dice metric | 0.8455 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91109
Similarity: 0.7217
Similarity to MM91109
| Tanimoto metric | 0.7217 |
|---|---|
| Cosine metric | 0.8496 |
| Dice metric | 0.8384 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+92 more
