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DocumentationIdentifier: MM238170
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM238170 |
| SMILES |
CC(F)=CC(=O)NCC#N
|
| InChIKey |
RSAYBWVBUCGQSO-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM136222
Similarity: 0.822
Similarity to MM136222
| Tanimoto metric | 0.822 |
|---|---|
| Cosine metric | 0.9067 |
| Dice metric | 0.9023 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM266792
Similarity: 0.7222
Similarity to MM266792
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8397 |
| Dice metric | 0.8387 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM238140
Similarity: 0.7185
Similarity to MM238140
| Tanimoto metric | 0.7185 |
|---|---|
| Cosine metric | 0.8363 |
| Dice metric | 0.8362 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+260 more
