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DocumentationIdentifier: MM75414
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM75414 |
| SMILES |
C#CC=C(CC#N)OC=O
|
| InChIKey |
PTORLLKASNNIGL-UHFFFAOYSA-N
|
| MW [Da] |
135.12
Automatically obtained from RDkit software. |
| LogP |
0.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM304437
Similarity: 0.6761
Similarity to MM304437
| Tanimoto metric | 0.6761 |
|---|---|
| Cosine metric | 0.8074 |
| Dice metric | 0.8067 |
| MW: | 136.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75301
Similarity: 0.6395
Similarity to MM75301
| Tanimoto metric | 0.6395 |
|---|---|
| Cosine metric | 0.7804 |
| Dice metric | 0.7801 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75378
Similarity: 0.6291
Similarity to MM75378
| Tanimoto metric | 0.6291 |
|---|---|
| Cosine metric | 0.7724 |
| Dice metric | 0.7724 |
| MW: | 139.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+33 more
