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DocumentationIdentifier: MM58343
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58343 |
| SMILES |
CNCC(=O)N(C)CC#N
|
| InChIKey |
UNXZBHKPYWGQFE-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM58281
Similarity: 0.7387
Similarity to MM58281
| Tanimoto metric | 0.7387 |
|---|---|
| Cosine metric | 0.8595 |
| Dice metric | 0.8497 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156291
Similarity: 0.6667
Similarity to MM156291
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8 |
| MW: | 127.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41089
Similarity: 0.6364
Similarity to MM41089
| Tanimoto metric | 0.6364 |
|---|---|
| Cosine metric | 0.7836 |
| Dice metric | 0.7778 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+149 more
