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DocumentationIdentifier: MM51114
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM51114 |
| SMILES |
CNC(=O)C(F)=CC=O
|
| InChIKey |
VEGORMHXRMCAFA-UHFFFAOYSA-N
|
| MW [Da] |
131.11
Automatically obtained from RDkit software. |
| LogP |
-0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM270592
Similarity: 0.7985
Similarity to MM270592
| Tanimoto metric | 0.7985 |
|---|---|
| Cosine metric | 0.8936 |
| Dice metric | 0.888 |
| MW: | 146.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51718
Similarity: 0.7121
Similarity to MM51718
| Tanimoto metric | 0.7121 |
|---|---|
| Cosine metric | 0.833 |
| Dice metric | 0.8319 |
| MW: | 146.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43579
Similarity: 0.6911
Similarity to MM43579
| Tanimoto metric | 0.6911 |
|---|---|
| Cosine metric | 0.8176 |
| Dice metric | 0.8173 |
| MW: | 131.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+133 more
