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DocumentationIdentifier: MM410471
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM410471 |
| SMILES |
CC=C(CO)COCCO
|
| InChIKey |
NPVPFAMDKRJILA-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
-0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199789
Similarity: 0.8415
Similarity to MM199789
| Tanimoto metric | 0.8415 |
|---|---|
| Cosine metric | 0.9173 |
| Dice metric | 0.9139 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167771
Similarity: 0.8171
Similarity to MM167771
| Tanimoto metric | 0.8171 |
|---|---|
| Cosine metric | 0.9039 |
| Dice metric | 0.8993 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM412236
Similarity: 0.7667
Similarity to MM412236
| Tanimoto metric | 0.7667 |
|---|---|
| Cosine metric | 0.8684 |
| Dice metric | 0.8679 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+475 more
