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DocumentationIdentifier: MM351775
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM351775 |
| SMILES |
C=C(CC)C(=C)C(N)CC
|
| InChIKey |
IOKKRJIOLOXKGV-UHFFFAOYSA-N
|
| MW [Da] |
139.24
Automatically obtained from RDkit software. |
| LogP |
2.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160967
Similarity: 0.8534
Similarity to MM160967
| Tanimoto metric | 0.8534 |
|---|---|
| Cosine metric | 0.9238 |
| Dice metric | 0.9209 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM298727
Similarity: 0.8512
Similarity to MM298727
| Tanimoto metric | 0.8512 |
|---|---|
| Cosine metric | 0.9202 |
| Dice metric | 0.9196 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82419
Similarity: 0.7879
Similarity to MM82419
| Tanimoto metric | 0.7879 |
|---|---|
| Cosine metric | 0.8815 |
| Dice metric | 0.8814 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+410 more
