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DocumentationIdentifier: MM373139
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM373139 |
| SMILES |
C=C(CO)CC=COCC
|
| InChIKey |
CCWRMWVSIGAOSR-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM373529
Similarity: 0.8161
Similarity to MM373529
| Tanimoto metric | 0.8161 |
|---|---|
| Cosine metric | 0.8988 |
| Dice metric | 0.8987 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM153637
Similarity: 0.7625
Similarity to MM153637
| Tanimoto metric | 0.7625 |
|---|---|
| Cosine metric | 0.8732 |
| Dice metric | 0.8652 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM373531
Similarity: 0.7263
Similarity to MM373531
| Tanimoto metric | 0.7263 |
|---|---|
| Cosine metric | 0.8417 |
| Dice metric | 0.8415 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+348 more
