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DocumentationIdentifier: MM45552
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM45552 |
| SMILES |
C#CC(C)(C=O)NCCF
|
| InChIKey |
OERBNNPBVSEHNP-UHFFFAOYSA-N
|
| MW [Da] |
143.16
Automatically obtained from RDkit software. |
| LogP |
0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM46732
Similarity: 0.75
Similarity to MM46732
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8579 |
| Dice metric | 0.8571 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46003
Similarity: 0.744
Similarity to MM46003
| Tanimoto metric | 0.744 |
|---|---|
| Cosine metric | 0.8538 |
| Dice metric | 0.8532 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44723
Similarity: 0.7154
Similarity to MM44723
| Tanimoto metric | 0.7154 |
|---|---|
| Cosine metric | 0.8342 |
| Dice metric | 0.8341 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+52 more
