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DocumentationIdentifier: MM197170
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM197170 |
| SMILES |
C#CC(F)C(C#C)C#N
|
| InChIKey |
YHOVEWYMINUACJ-UHFFFAOYSA-N
|
| MW [Da] |
121.11
Automatically obtained from RDkit software. |
| LogP |
0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM413582
Similarity: 0.7724
Similarity to MM413582
| Tanimoto metric | 0.7724 |
|---|---|
| Cosine metric | 0.8788 |
| Dice metric | 0.8716 |
| MW: | 135.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15414
Similarity: 0.7684
Similarity to MM15414
| Tanimoto metric | 0.7684 |
|---|---|
| Cosine metric | 0.8766 |
| Dice metric | 0.869 |
| MW: | 111.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM197160
Similarity: 0.6991
Similarity to MM197160
| Tanimoto metric | 0.6991 |
|---|---|
| Cosine metric | 0.823 |
| Dice metric | 0.8229 |
| MW: | 122.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+249 more
