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DocumentationIdentifier: MM02625
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02625 |
| SMILES |
COC(C#N)C(F)C=O
|
| InChIKey |
AWFIPPBZDXPCLP-UHFFFAOYSA-N
|
| MW [Da] |
131.11
Automatically obtained from RDkit software. |
| LogP |
0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM376848
Similarity: 0.7785
Similarity to MM376848
| Tanimoto metric | 0.7785 |
|---|---|
| Cosine metric | 0.8823 |
| Dice metric | 0.8754 |
| MW: | 143.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35442
Similarity: 0.6911
Similarity to MM35442
| Tanimoto metric | 0.6911 |
|---|---|
| Cosine metric | 0.8313 |
| Dice metric | 0.8173 |
| MW: | 117.08 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116960
Similarity: 0.6748
Similarity to MM116960
| Tanimoto metric | 0.6748 |
|---|---|
| Cosine metric | 0.8215 |
| Dice metric | 0.8058 |
| MW: | 117.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+163 more
