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DocumentationIdentifier: MM284035
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM284035 |
| SMILES |
C=CC=C(C)OC=CC#N
|
| InChIKey |
AOOBXZLDMPKBQD-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
2.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169001
Similarity: 0.7882
Similarity to MM169001
| Tanimoto metric | 0.7882 |
|---|---|
| Cosine metric | 0.8878 |
| Dice metric | 0.8816 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM284033
Similarity: 0.7614
Similarity to MM284033
| Tanimoto metric | 0.7614 |
|---|---|
| Cosine metric | 0.8686 |
| Dice metric | 0.8645 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM284036
Similarity: 0.7604
Similarity to MM284036
| Tanimoto metric | 0.7604 |
|---|---|
| Cosine metric | 0.8639 |
| Dice metric | 0.8639 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+187 more
