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DocumentationIdentifier: MM220658
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM220658 |
| SMILES |
C=CC(C)(O)CC(C)(C)O
|
| InChIKey |
CVCPRQBVFCVAQA-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.08
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: 0.8857
Similarity to MM226439
| Tanimoto metric | 0.8857 |
|---|---|
| Cosine metric | 0.9394 |
| Dice metric | 0.9394 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM429298
Similarity: 0.8
Similarity to MM429298
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8899 |
| Dice metric | 0.8889 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229160
Similarity: 0.7826
Similarity to MM229160
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8786 |
| Dice metric | 0.878 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+616 more
