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DocumentationIdentifier: MM294788
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM294788 |
| SMILES |
C=CCC(=C)C(N)C=CC
|
| InChIKey |
LLWIWYKMKPUYTG-UHFFFAOYSA-N
|
| MW [Da] |
137.23
Automatically obtained from RDkit software. |
| LogP |
2.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174118
Similarity: 0.8476
Similarity to MM174118
| Tanimoto metric | 0.8476 |
|---|---|
| Cosine metric | 0.9207 |
| Dice metric | 0.9175 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM299572
Similarity: 0.7462
Similarity to MM299572
| Tanimoto metric | 0.7462 |
|---|---|
| Cosine metric | 0.857 |
| Dice metric | 0.8546 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM173391
Similarity: 0.7429
Similarity to MM173391
| Tanimoto metric | 0.7429 |
|---|---|
| Cosine metric | 0.8619 |
| Dice metric | 0.8525 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+414 more
