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DocumentationIdentifier: MM386949
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386949 |
| SMILES |
CCOC(C#N)CCC#N
|
| InChIKey |
FVPVZILJFCTHCT-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM54270
Similarity: 0.7849
Similarity to MM54270
| Tanimoto metric | 0.7849 |
|---|---|
| Cosine metric | 0.886 |
| Dice metric | 0.8795 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355627
Similarity: 0.7475
Similarity to MM355627
| Tanimoto metric | 0.7475 |
|---|---|
| Cosine metric | 0.8579 |
| Dice metric | 0.8555 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155793
Similarity: 0.7312
Similarity to MM155793
| Tanimoto metric | 0.7312 |
|---|---|
| Cosine metric | 0.8551 |
| Dice metric | 0.8447 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+428 more
