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DocumentationIdentifier: MM62605
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM62605 |
| SMILES |
C=CC(=C)CNCCOC
|
| InChIKey |
CMJYYUXCNYSOPH-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
0.96
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM63720
Similarity: 0.7952
Similarity to MM63720
| Tanimoto metric | 0.7952 |
|---|---|
| Cosine metric | 0.8917 |
| Dice metric | 0.8859 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM287069
Similarity: 0.7253
Similarity to MM287069
| Tanimoto metric | 0.7253 |
|---|---|
| Cosine metric | 0.8421 |
| Dice metric | 0.8408 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61419
Similarity: 0.71
Similarity to MM61419
| Tanimoto metric | 0.71 |
|---|---|
| Cosine metric | 0.8308 |
| Dice metric | 0.8304 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+373 more
