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DocumentationIdentifier: MM363206
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM363206 |
| SMILES |
C=CCCC=CC(N)CO
|
| InChIKey |
NELIGBLANNVQOA-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM362932
Similarity: 0.825
Similarity to MM362932
| Tanimoto metric | 0.825 |
|---|---|
| Cosine metric | 0.9042 |
| Dice metric | 0.9041 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM362928
Similarity: 0.8049
Similarity to MM362928
| Tanimoto metric | 0.8049 |
|---|---|
| Cosine metric | 0.8919 |
| Dice metric | 0.8919 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM362930
Similarity: 0.7857
Similarity to MM362930
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8801 |
| Dice metric | 0.88 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+579 more
