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DocumentationIdentifier: MM245100
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM245100 |
| SMILES |
C#CC(=C)CC(O)C(C)N
|
| InChIKey |
YOVLKMHXRQRBOI-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
MM74527
Similarity: 0.7286
Similarity to MM74527
| Tanimoto metric | 0.7286 |
|---|---|
| Cosine metric | 0.8536 |
| Dice metric | 0.843 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142179
Similarity: 0.7071
Similarity to MM142179
| Tanimoto metric | 0.7071 |
|---|---|
| Cosine metric | 0.8409 |
| Dice metric | 0.8285 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262316
Similarity: 0.6494
Similarity to MM262316
| Tanimoto metric | 0.6494 |
|---|---|
| Cosine metric | 0.7916 |
| Dice metric | 0.7874 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+183 more
