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DocumentationIdentifier: MM433154
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM433154 |
| SMILES |
CCC(C#CC=CF)NC
|
| InChIKey |
BRJQZRYEVNYLSC-UHFFFAOYSA-N
|
| MW [Da] |
141.19
Automatically obtained from RDkit software. |
| LogP |
1.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201208
Similarity: 0.8155
Similarity to MM201208
| Tanimoto metric | 0.8155 |
|---|---|
| Cosine metric | 0.9031 |
| Dice metric | 0.8984 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM170731
Similarity: 0.7379
Similarity to MM170731
| Tanimoto metric | 0.7379 |
|---|---|
| Cosine metric | 0.859 |
| Dice metric | 0.8492 |
| MW: | 127.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM433148
Similarity: 0.7119
Similarity to MM433148
| Tanimoto metric | 0.7119 |
|---|---|
| Cosine metric | 0.8318 |
| Dice metric | 0.8317 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+500 more
