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DocumentationIdentifier: MM172037
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172037 |
| SMILES |
C#CCC(F)C(C)CF
|
| InChIKey |
LPLRZDXFMDKDHU-UHFFFAOYSA-N
|
| MW [Da] |
132.15
Automatically obtained from RDkit software. |
| LogP |
1.95
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM197044
Similarity: 0.7158
Similarity to MM197044
| Tanimoto metric | 0.7158 |
|---|---|
| Cosine metric | 0.8356 |
| Dice metric | 0.8344 |
| MW: | 132.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172252
Similarity: 0.6957
Similarity to MM172252
| Tanimoto metric | 0.6957 |
|---|---|
| Cosine metric | 0.8206 |
| Dice metric | 0.8205 |
| MW: | 132.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406944
Similarity: 0.6952
Similarity to MM406944
| Tanimoto metric | 0.6952 |
|---|---|
| Cosine metric | 0.8278 |
| Dice metric | 0.8202 |
| MW: | 150.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+517 more
