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DocumentationIdentifier: MM66157
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM66157 |
| SMILES |
C#CCC(N)C(O)CC=C
|
| InChIKey |
JJDFPVNXRBCMCB-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM77056
Similarity: 0.7355
Similarity to MM77056
| Tanimoto metric | 0.7355 |
|---|---|
| Cosine metric | 0.8576 |
| Dice metric | 0.8476 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292765
Similarity: 0.6741
Similarity to MM292765
| Tanimoto metric | 0.6741 |
|---|---|
| Cosine metric | 0.8073 |
| Dice metric | 0.8053 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM354216
Similarity: 0.6571
Similarity to MM354216
| Tanimoto metric | 0.6571 |
|---|---|
| Cosine metric | 0.7938 |
| Dice metric | 0.7931 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+311 more
