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DocumentationIdentifier: MM172200
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172200 |
| SMILES |
C=COC(C)C(F)C#N
|
| InChIKey |
PARBBMPTXCQRPB-UHFFFAOYSA-N
|
| MW [Da] |
129.13
Automatically obtained from RDkit software. |
| LogP |
1.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM111586
Similarity: 0.7593
Similarity to MM111586
| Tanimoto metric | 0.7593 |
|---|---|
| Cosine metric | 0.8714 |
| Dice metric | 0.8632 |
| MW: | 117.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376850
Similarity: 0.7448
Similarity to MM376850
| Tanimoto metric | 0.7448 |
|---|---|
| Cosine metric | 0.863 |
| Dice metric | 0.8538 |
| MW: | 140.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108126
Similarity: 0.6759
Similarity to MM108126
| Tanimoto metric | 0.6759 |
|---|---|
| Cosine metric | 0.8221 |
| Dice metric | 0.8066 |
| MW: | 118.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+170 more
