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DocumentationIdentifier: MM228893
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM228893 |
| SMILES |
C#CC(C)(O)C(F)(F)C#N
|
| InChIKey |
KSYLYYSPNNGMBD-UHFFFAOYSA-N
|
| MW [Da] |
145.11
Automatically obtained from RDkit software. |
| LogP |
0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41603
Similarity: 0.7151
Similarity to MM41603
| Tanimoto metric | 0.7151 |
|---|---|
| Cosine metric | 0.8456 |
| Dice metric | 0.8339 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15426
Similarity: 0.676
Similarity to MM15426
| Tanimoto metric | 0.676 |
|---|---|
| Cosine metric | 0.8222 |
| Dice metric | 0.8067 |
| MW: | 131.08 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM131051
Similarity: 0.676
Similarity to MM131051
| Tanimoto metric | 0.676 |
|---|---|
| Cosine metric | 0.8222 |
| Dice metric | 0.8067 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+98 more
