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DocumentationIdentifier: MM270019
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM270019 |
| SMILES |
C=CC(N)C(O)C=C(C)C
|
| InChIKey |
KAPHEKFVZKRGQA-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM73350
Similarity: 0.7731
Similarity to MM73350
| Tanimoto metric | 0.7731 |
|---|---|
| Cosine metric | 0.8793 |
| Dice metric | 0.872 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM355461
Similarity: 0.7333
Similarity to MM355461
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8463 |
| Dice metric | 0.8462 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58163
Similarity: 0.6923
Similarity to MM58163
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8183 |
| Dice metric | 0.8182 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+343 more
