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DocumentationIdentifier: MM235088
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM235088 |
| SMILES |
C=COCC(C)(O)C(C)O
|
| InChIKey |
LHTITIJECRYEDW-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM77140
Similarity: 0.8062
Similarity to MM77140
| Tanimoto metric | 0.8062 |
|---|---|
| Cosine metric | 0.8946 |
| Dice metric | 0.8927 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132593
Similarity: 0.7661
Similarity to MM132593
| Tanimoto metric | 0.7661 |
|---|---|
| Cosine metric | 0.8753 |
| Dice metric | 0.8676 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243593
Similarity: 0.7111
Similarity to MM243593
| Tanimoto metric | 0.7111 |
|---|---|
| Cosine metric | 0.8334 |
| Dice metric | 0.8312 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+242 more
