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DocumentationIdentifier: MM75378
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM75378 |
| SMILES |
N#CCC(=CC=O)OC=O
|
| InChIKey |
HIDGHOBXOQCAAG-UHFFFAOYSA-N
|
| MW [Da] |
139.11
Automatically obtained from RDkit software. |
| LogP |
0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM304437
Similarity: 0.6738
Similarity to MM304437
| Tanimoto metric | 0.6738 |
|---|---|
| Cosine metric | 0.8055 |
| Dice metric | 0.8051 |
| MW: | 136.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304234
Similarity: 0.6458
Similarity to MM304234
| Tanimoto metric | 0.6458 |
|---|---|
| Cosine metric | 0.7852 |
| Dice metric | 0.7848 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75414
Similarity: 0.6291
Similarity to MM75414
| Tanimoto metric | 0.6291 |
|---|---|
| Cosine metric | 0.7724 |
| Dice metric | 0.7724 |
| MW: | 135.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+20 more
