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DocumentationIdentifier: MM387806
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM387806 |
| SMILES |
C#CCCC(C#C)NC=O
|
| InChIKey |
MTFQHBGCNKYGFF-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51340
Similarity: 0.8571
Similarity to MM51340
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304952
Similarity: 0.7449
Similarity to MM304952
| Tanimoto metric | 0.7449 |
|---|---|
| Cosine metric | 0.8631 |
| Dice metric | 0.8538 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272189
Similarity: 0.7119
Similarity to MM272189
| Tanimoto metric | 0.7119 |
|---|---|
| Cosine metric | 0.8321 |
| Dice metric | 0.8317 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+181 more
