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DocumentationIdentifier: MM371145
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM371145 |
| SMILES |
C=CC#CCNC(=O)C=C
|
| InChIKey |
NPTDNBRIPAKSPE-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM275468
Similarity: 0.8851
Similarity to MM275468
| Tanimoto metric | 0.8851 |
|---|---|
| Cosine metric | 0.9408 |
| Dice metric | 0.939 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371072
Similarity: 0.8105
Similarity to MM371072
| Tanimoto metric | 0.8105 |
|---|---|
| Cosine metric | 0.8954 |
| Dice metric | 0.8953 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371189
Similarity: 0.8041
Similarity to MM371189
| Tanimoto metric | 0.8041 |
|---|---|
| Cosine metric | 0.8914 |
| Dice metric | 0.8914 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+293 more
