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DocumentationIdentifier: MM45163
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM45163 |
| SMILES |
NC(=O)CCC#CCF
|
| InChIKey |
NBRRBSZTXCUAOS-UHFFFAOYSA-N
|
| MW [Da] |
129.13
Automatically obtained from RDkit software. |
| LogP |
0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM236045
Similarity: 0.8554
Similarity to MM236045
| Tanimoto metric | 0.8554 |
|---|---|
| Cosine metric | 0.9249 |
| Dice metric | 0.9221 |
| MW: | 147.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM33490
Similarity: 0.7746
Similarity to MM33490
| Tanimoto metric | 0.7746 |
|---|---|
| Cosine metric | 0.8801 |
| Dice metric | 0.873 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM236060
Similarity: 0.732
Similarity to MM236060
| Tanimoto metric | 0.732 |
|---|---|
| Cosine metric | 0.8555 |
| Dice metric | 0.8452 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+118 more
