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DocumentationIdentifier: MM254046
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM254046 |
| SMILES |
C=C(C)C(N)C(=C)C(C)O
|
| InChIKey |
ZJQXNVFBRFUDQL-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 |
Similar entries
MM350038
Similarity: 0.7697
Similarity to MM350038
| Tanimoto metric | 0.7697 |
|---|---|
| Cosine metric | 0.8733 |
| Dice metric | 0.8699 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160857
Similarity: 0.7358
Similarity to MM160857
| Tanimoto metric | 0.7358 |
|---|---|
| Cosine metric | 0.8578 |
| Dice metric | 0.8478 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM299574
Similarity: 0.6178
Similarity to MM299574
| Tanimoto metric | 0.6178 |
|---|---|
| Cosine metric | 0.7641 |
| Dice metric | 0.7638 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+132 more
