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DocumentationIdentifier: MM301744
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM301744 |
| SMILES |
C=CCNCC(O)C(=C)C
|
| InChIKey |
PESQFYSVAILJGI-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
0.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM78928
Similarity: 0.8762
Similarity to MM78928
| Tanimoto metric | 0.8762 |
|---|---|
| Cosine metric | 0.9361 |
| Dice metric | 0.934 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM81194
Similarity: 0.7731
Similarity to MM81194
| Tanimoto metric | 0.7731 |
|---|---|
| Cosine metric | 0.872 |
| Dice metric | 0.872 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM301940
Similarity: 0.7419
Similarity to MM301940
| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.8522 |
| Dice metric | 0.8519 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+485 more
