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DocumentationIdentifier: MM76304
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM76304 |
| SMILES |
CNCC(C)OCCC#N
|
| InChIKey |
YIGJMYUGMDKHQU-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM291203
Similarity: 0.7419
Similarity to MM291203
| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.8529 |
| Dice metric | 0.8519 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM71748
Similarity: 0.7041
Similarity to MM71748
| Tanimoto metric | 0.7041 |
|---|---|
| Cosine metric | 0.8265 |
| Dice metric | 0.8263 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM291368
Similarity: 0.6832
Similarity to MM291368
| Tanimoto metric | 0.6832 |
|---|---|
| Cosine metric | 0.8118 |
| Dice metric | 0.8118 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+529 more
