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DocumentationIdentifier: MM304631
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304631 |
| SMILES |
C=C(OC=CC#N)C(C)C
|
| InChIKey |
HUUXUPCAXAGOHD-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
2.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168698
Similarity: 0.8202
Similarity to MM168698
| Tanimoto metric | 0.8202 |
|---|---|
| Cosine metric | 0.9057 |
| Dice metric | 0.9012 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304629
Similarity: 0.7129
Similarity to MM304629
| Tanimoto metric | 0.7129 |
|---|---|
| Cosine metric | 0.8327 |
| Dice metric | 0.8324 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231500
Similarity: 0.7059
Similarity to MM231500
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8278 |
| Dice metric | 0.8276 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+388 more
