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DocumentationIdentifier: MM229160
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229160 |
| SMILES |
C=CC(O)(C=C)CC(C)O
|
| InChIKey |
QNVUOLLVGGOKPJ-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.86
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM226439
Similarity: 0.7826
Similarity to MM226439
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8786 |
| Dice metric | 0.878 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM220658
Similarity: 0.7826
Similarity to MM220658
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8786 |
| Dice metric | 0.878 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42336
Similarity: 0.7358
Similarity to MM42336
| Tanimoto metric | 0.7358 |
|---|---|
| Cosine metric | 0.8578 |
| Dice metric | 0.8478 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+454 more
