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DocumentationIdentifier: MM81007
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM81007 |
| SMILES |
CC(=CC(C#N)C#N)CO
|
| InChIKey |
OZASDDCWOSVBSV-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM337101
Similarity: 0.8315
Similarity to MM337101
| Tanimoto metric | 0.8315 |
|---|---|
| Cosine metric | 0.908 |
| Dice metric | 0.908 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227566
Similarity: 0.7789
Similarity to MM227566
| Tanimoto metric | 0.7789 |
|---|---|
| Cosine metric | 0.8765 |
| Dice metric | 0.8757 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM200777
Similarity: 0.7407
Similarity to MM200777
| Tanimoto metric | 0.7407 |
|---|---|
| Cosine metric | 0.8607 |
| Dice metric | 0.8511 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+253 more
