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DocumentationIdentifier: MM424622
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM424622 |
| SMILES |
C=CCC=CC(C=C)NC
|
| InChIKey |
PSJWCNBLJAWUJQ-UHFFFAOYSA-N
|
| MW [Da] |
137.23
Automatically obtained from RDkit software. |
| LogP |
1.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169494
Similarity: 0.8356
Similarity to MM169494
| Tanimoto metric | 0.8356 |
|---|---|
| Cosine metric | 0.9141 |
| Dice metric | 0.9104 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79767
Similarity: 0.8023
Similarity to MM79767
| Tanimoto metric | 0.8023 |
|---|---|
| Cosine metric | 0.8918 |
| Dice metric | 0.8903 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79758
Similarity: 0.7907
Similarity to MM79758
| Tanimoto metric | 0.7907 |
|---|---|
| Cosine metric | 0.8843 |
| Dice metric | 0.8831 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+409 more
