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DocumentationIdentifier: MM274076
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM274076 |
| SMILES |
C#CCN(C=O)C=C(C)F
|
| InChIKey |
BUMIEKRHYGSAEU-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
0.91
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150669
Similarity: 0.784
Similarity to MM150669
| Tanimoto metric | 0.784 |
|---|---|
| Cosine metric | 0.8854 |
| Dice metric | 0.8789 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178297
Similarity: 0.688
Similarity to MM178297
| Tanimoto metric | 0.688 |
|---|---|
| Cosine metric | 0.8295 |
| Dice metric | 0.8152 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM270109
Similarity: 0.6852
Similarity to MM270109
| Tanimoto metric | 0.6852 |
|---|---|
| Cosine metric | 0.8161 |
| Dice metric | 0.8132 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+102 more
