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DocumentationIdentifier: MM406136
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM406136 |
| SMILES |
O=CC(CO)CC=CCO
|
| InChIKey |
XVHLLQNLQYJPFS-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM406132
Similarity: 0.8085
Similarity to MM406132
| Tanimoto metric | 0.8085 |
|---|---|
| Cosine metric | 0.8942 |
| Dice metric | 0.8941 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406423
Similarity: 0.7755
Similarity to MM406423
| Tanimoto metric | 0.7755 |
|---|---|
| Cosine metric | 0.8736 |
| Dice metric | 0.8736 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37572
Similarity: 0.6977
Similarity to MM37572
| Tanimoto metric | 0.6977 |
|---|---|
| Cosine metric | 0.8353 |
| Dice metric | 0.8219 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+680 more
