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DocumentationIdentifier: MM309493
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM309493 |
| SMILES |
C=CC(C)(C#N)NCC#N
|
| InChIKey |
WOETYWLYLOSKRD-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139541
Similarity: 0.8835
Similarity to MM139541
| Tanimoto metric | 0.8835 |
|---|---|
| Cosine metric | 0.9399 |
| Dice metric | 0.9381 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM309488
Similarity: 0.8636
Similarity to MM309488
| Tanimoto metric | 0.8636 |
|---|---|
| Cosine metric | 0.9268 |
| Dice metric | 0.9268 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229171
Similarity: 0.8304
Similarity to MM229171
| Tanimoto metric | 0.8304 |
|---|---|
| Cosine metric | 0.9073 |
| Dice metric | 0.9073 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+186 more
