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DocumentationIdentifier: MM360374
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM360374 |
| SMILES |
C=COC=C(C)CCC#N
|
| InChIKey |
MXHOWJKMWQKMKV-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
2.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158826
Similarity: 0.8659
Similarity to MM158826
| Tanimoto metric | 0.8659 |
|---|---|
| Cosine metric | 0.9305 |
| Dice metric | 0.9281 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159509
Similarity: 0.7683
Similarity to MM159509
| Tanimoto metric | 0.7683 |
|---|---|
| Cosine metric | 0.8765 |
| Dice metric | 0.869 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM284919
Similarity: 0.6495
Similarity to MM284919
| Tanimoto metric | 0.6495 |
|---|---|
| Cosine metric | 0.7877 |
| Dice metric | 0.7875 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+481 more
