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DocumentationIdentifier: MM413582
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM413582 |
| SMILES |
C#CC(C#N)C(F)C#CC
|
| InChIKey |
QIIFOHFIBINJTI-UHFFFAOYSA-N
|
| MW [Da] |
135.14
Automatically obtained from RDkit software. |
| LogP |
1.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM197170
Similarity: 0.7724
Similarity to MM197170
| Tanimoto metric | 0.7724 |
|---|---|
| Cosine metric | 0.8788 |
| Dice metric | 0.8716 |
| MW: | 121.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357996
Similarity: 0.7059
Similarity to MM357996
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8291 |
| Dice metric | 0.8276 |
| MW: | 135.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM413521
Similarity: 0.6866
Similarity to MM413521
| Tanimoto metric | 0.6866 |
|---|---|
| Cosine metric | 0.8174 |
| Dice metric | 0.8142 |
| MW: | 136.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+148 more
