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DocumentationIdentifier: MM447105
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM447105 |
| SMILES |
COCOCOCCC#N
|
| InChIKey |
VSNWUJBCRZFDHZ-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM39184
Similarity: 0.8
Similarity to MM39184
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM55918
Similarity: 0.7636
Similarity to MM55918
| Tanimoto metric | 0.7636 |
|---|---|
| Cosine metric | 0.8739 |
| Dice metric | 0.866 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM447103
Similarity: 0.7458
Similarity to MM447103
| Tanimoto metric | 0.7458 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8544 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+350 more
