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DocumentationIdentifier: MM199247
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM199247 |
| SMILES |
C=CC(C#N)CCC#N
|
| InChIKey |
HVHITOUYHMPLNV-UHFFFAOYSA-N
|
| MW [Da] |
120.16
Automatically obtained from RDkit software. |
| LogP |
1.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM327938
Similarity: 0.9
Similarity to MM327938
| Tanimoto metric | 0.9 |
|---|---|
| Cosine metric | 0.9487 |
| Dice metric | 0.9474 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116156
Similarity: 0.8413
Similarity to MM116156
| Tanimoto metric | 0.8413 |
|---|---|
| Cosine metric | 0.9172 |
| Dice metric | 0.9138 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199244
Similarity: 0.8382
Similarity to MM199244
| Tanimoto metric | 0.8382 |
|---|---|
| Cosine metric | 0.912 |
| Dice metric | 0.912 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+412 more
