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DocumentationIdentifier: MM393256
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM393256 |
| SMILES |
C=CC(CCCC)C(=N)N
|
| InChIKey |
XGDMXWRFJCRULL-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.91
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179938
Similarity: 0.8435
Similarity to MM179938
| Tanimoto metric | 0.8435 |
|---|---|
| Cosine metric | 0.9184 |
| Dice metric | 0.9151 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM393431
Similarity: 0.7597
Similarity to MM393431
| Tanimoto metric | 0.7597 |
|---|---|
| Cosine metric | 0.8635 |
| Dice metric | 0.8634 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM275243
Similarity: 0.7519
Similarity to MM275243
| Tanimoto metric | 0.7519 |
|---|---|
| Cosine metric | 0.8585 |
| Dice metric | 0.8584 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+263 more
