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DocumentationIdentifier: MM378024
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378024 |
| SMILES |
C=C(CO)C(C=O)CCO
|
| InChIKey |
IDKATCIJKXVFGR-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
MM52274
Similarity: 0.8125
Similarity to MM52274
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.9014 |
| Dice metric | 0.8966 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94659
Similarity: 0.7101
Similarity to MM94659
| Tanimoto metric | 0.7101 |
|---|---|
| Cosine metric | 0.8316 |
| Dice metric | 0.8305 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378232
Similarity: 0.7101
Similarity to MM378232
| Tanimoto metric | 0.7101 |
|---|---|
| Cosine metric | 0.8316 |
| Dice metric | 0.8305 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+336 more
