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DocumentationIdentifier: MM378272
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378272 |
| SMILES |
CN=C(N)C(C=O)CC#N
|
| InChIKey |
ZPXQSGZUNWNKIQ-UHFFFAOYSA-N
|
| MW [Da] |
139.16
Automatically obtained from RDkit software. |
| LogP |
-0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180004
Similarity: 0.7292
Similarity to MM180004
| Tanimoto metric | 0.7292 |
|---|---|
| Cosine metric | 0.8539 |
| Dice metric | 0.8434 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378270
Similarity: 0.6548
Similarity to MM378270
| Tanimoto metric | 0.6548 |
|---|---|
| Cosine metric | 0.7919 |
| Dice metric | 0.7914 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378060
Similarity: 0.6236
Similarity to MM378060
| Tanimoto metric | 0.6236 |
|---|---|
| Cosine metric | 0.7682 |
| Dice metric | 0.7682 |
| MW: | 146.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+14 more
