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DocumentationIdentifier: MM213205
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM213205 |
| SMILES |
CN=CNCCCCO
|
| InChIKey |
BNOWYMUPVXZCAF-UHFFFAOYSA-N
|
| MW [Da] |
130.19
Automatically obtained from RDkit software. |
| LogP |
0.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM125572
Similarity: 0.8246
Similarity to MM125572
| Tanimoto metric | 0.8246 |
|---|---|
| Cosine metric | 0.9081 |
| Dice metric | 0.9038 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM213204
Similarity: 0.7143
Similarity to MM213204
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8346 |
| Dice metric | 0.8333 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM152907
Similarity: 0.6667
Similarity to MM152907
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8031 |
| Dice metric | 0.8 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | |||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+498 more
