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DocumentationIdentifier: MM451772
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM451772 |
| SMILES |
C=CCCCN=CNC=C
|
| InChIKey |
KIXOMEJMJGJYCU-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM451376
Similarity: 0.7917
Similarity to MM451376
| Tanimoto metric | 0.7917 |
|---|---|
| Cosine metric | 0.8844 |
| Dice metric | 0.8837 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM126668
Similarity: 0.7164
Similarity to MM126668
| Tanimoto metric | 0.7164 |
|---|---|
| Cosine metric | 0.8464 |
| Dice metric | 0.8348 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM451378
Similarity: 0.7037
Similarity to MM451378
| Tanimoto metric | 0.7037 |
|---|---|
| Cosine metric | 0.8264 |
| Dice metric | 0.8261 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+243 more
