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DocumentationIdentifier: MM416876
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM416876 |
| SMILES |
CC#CCC1NC1C=O
|
| InChIKey |
YXTSMPFNGICPJH-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
-0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM418318
Similarity: 0.9638
Similarity to MM418318
| Tanimoto metric | 0.9638 |
|---|---|
| Cosine metric | 0.9817 |
| Dice metric | 0.9815 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM416772
Similarity: 0.8271
Similarity to MM416772
| Tanimoto metric | 0.8271 |
|---|---|
| Cosine metric | 0.9094 |
| Dice metric | 0.9053 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM440605
Similarity: 0.6683
Similarity to MM440605
| Tanimoto metric | 0.6683 |
|---|---|
| Cosine metric | 0.8175 |
| Dice metric | 0.8012 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+121 more
