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DocumentationIdentifier: MM291947
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM291947 |
| SMILES |
CNCC(=O)NCCC#N
|
| InChIKey |
FSVPONZIGITUBB-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156151
Similarity: 0.7978
Similarity to MM156151
| Tanimoto metric | 0.7978 |
|---|---|
| Cosine metric | 0.8932 |
| Dice metric | 0.8875 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47311
Similarity: 0.7059
Similarity to MM47311
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8278 |
| Dice metric | 0.8276 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47308
Similarity: 0.6893
Similarity to MM47308
| Tanimoto metric | 0.6893 |
|---|---|
| Cosine metric | 0.8163 |
| Dice metric | 0.8161 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+140 more
