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DocumentationIdentifier: MM76761
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM76761 |
| SMILES |
C#CC(C)(C#N)N(C)C=O
|
| InChIKey |
KUMNKBMJPLADFZ-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
-0.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42427
Similarity: 0.7388
Similarity to MM42427
| Tanimoto metric | 0.7388 |
|---|---|
| Cosine metric | 0.8595 |
| Dice metric | 0.8498 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53336
Similarity: 0.7239
Similarity to MM53336
| Tanimoto metric | 0.7239 |
|---|---|
| Cosine metric | 0.8508 |
| Dice metric | 0.8398 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM313128
Similarity: 0.6556
Similarity to MM313128
| Tanimoto metric | 0.6556 |
|---|---|
| Cosine metric | 0.7941 |
| Dice metric | 0.792 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+66 more
