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DocumentationIdentifier: MM414677
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM414677 |
| SMILES |
CC=C(CO)C(O)CC#N
|
| InChIKey |
GYGSBYITKJMWHV-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
MM172512
Similarity: 0.7328
Similarity to MM172512
| Tanimoto metric | 0.7328 |
|---|---|
| Cosine metric | 0.8561 |
| Dice metric | 0.8458 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM72314
Similarity: 0.66
Similarity to MM72314
| Tanimoto metric | 0.66 |
|---|---|
| Cosine metric | 0.7963 |
| Dice metric | 0.7952 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM296039
Similarity: 0.6579
Similarity to MM296039
| Tanimoto metric | 0.6579 |
|---|---|
| Cosine metric | 0.7943 |
| Dice metric | 0.7937 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+430 more
