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DocumentationIdentifier: MM46019
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM46019 |
| SMILES |
C=C(CC#N)OCCO
|
| InChIKey |
JYOCYKOMZBLWPB-UHFFFAOYSA-N
|
| MW [Da] |
127.14
Automatically obtained from RDkit software. |
| LogP |
0.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM69572
Similarity: 0.8837
Similarity to MM69572
| Tanimoto metric | 0.8837 |
|---|---|
| Cosine metric | 0.9401 |
| Dice metric | 0.9383 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107423
Similarity: 0.8026
Similarity to MM107423
| Tanimoto metric | 0.8026 |
|---|---|
| Cosine metric | 0.8959 |
| Dice metric | 0.8905 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM62890
Similarity: 0.7677
Similarity to MM62890
| Tanimoto metric | 0.7677 |
|---|---|
| Cosine metric | 0.8762 |
| Dice metric | 0.8686 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+261 more
