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DocumentationIdentifier: MM82631
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM82631 |
| SMILES |
C=C(C(O)C#N)C(O)CC
|
| InChIKey |
WLYRATJGVDOHDP-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM82661
Similarity: 0.7338
Similarity to MM82661
| Tanimoto metric | 0.7338 |
|---|---|
| Cosine metric | 0.8527 |
| Dice metric | 0.8465 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM173055
Similarity: 0.6741
Similarity to MM173055
| Tanimoto metric | 0.6741 |
|---|---|
| Cosine metric | 0.821 |
| Dice metric | 0.8053 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351095
Similarity: 0.6599
Similarity to MM351095
| Tanimoto metric | 0.6599 |
|---|---|
| Cosine metric | 0.7996 |
| Dice metric | 0.7951 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+160 more
