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DocumentationIdentifier: MM61503
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM61503 |
| SMILES |
N#CCC(O)(C#N)CC#N
|
| InChIKey |
RWYVYNQCMVCUMT-UHFFFAOYSA-N
|
| MW [Da] |
135.13
Automatically obtained from RDkit software. |
| LogP |
0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42249
Similarity: 0.9318
Similarity to MM42249
| Tanimoto metric | 0.9318 |
|---|---|
| Cosine metric | 0.9653 |
| Dice metric | 0.9647 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28570
Similarity: 0.6932
Similarity to MM28570
| Tanimoto metric | 0.6932 |
|---|---|
| Cosine metric | 0.8326 |
| Dice metric | 0.8188 |
| MW: | 110.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243148
Similarity: 0.6721
Similarity to MM243148
| Tanimoto metric | 0.6721 |
|---|---|
| Cosine metric | 0.8116 |
| Dice metric | 0.8039 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+70 more
