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DocumentationIdentifier: MM309486
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM309486 |
| SMILES |
C=CC(C)(C=C)NCC#N
|
| InChIKey |
ZDVFCGRXJJYAGJ-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138451
Similarity: 0.8415
Similarity to MM138451
| Tanimoto metric | 0.8415 |
|---|---|
| Cosine metric | 0.9173 |
| Dice metric | 0.9139 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM309484
Similarity: 0.7191
Similarity to MM309484
| Tanimoto metric | 0.7191 |
|---|---|
| Cosine metric | 0.8388 |
| Dice metric | 0.8366 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199264
Similarity: 0.7073
Similarity to MM199264
| Tanimoto metric | 0.7073 |
|---|---|
| Cosine metric | 0.841 |
| Dice metric | 0.8286 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+279 more
