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DocumentationIdentifier: MM351245
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM351245 |
| SMILES |
C=CCCC(=N)N(C)C=C
|
| InChIKey |
MLRAUDNATMMSHP-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173304
Similarity: 0.8407
Similarity to MM173304
| Tanimoto metric | 0.8407 |
|---|---|
| Cosine metric | 0.9169 |
| Dice metric | 0.9135 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350888
Similarity: 0.7422
Similarity to MM350888
| Tanimoto metric | 0.7422 |
|---|---|
| Cosine metric | 0.8521 |
| Dice metric | 0.852 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156511
Similarity: 0.7257
Similarity to MM156511
| Tanimoto metric | 0.7257 |
|---|---|
| Cosine metric | 0.8519 |
| Dice metric | 0.841 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+514 more
