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DocumentationIdentifier: MM226143
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM226143 |
| SMILES |
CC(C#N)CC(C)(O)CF
|
| InChIKey |
VCHQUGXBTBPPND-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
1.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM42749
Similarity: 0.7321
Similarity to MM42749
| Tanimoto metric | 0.7321 |
|---|---|
| Cosine metric | 0.8557 |
| Dice metric | 0.8454 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM224164
Similarity: 0.7154
Similarity to MM224164
| Tanimoto metric | 0.7154 |
|---|---|
| Cosine metric | 0.8341 |
| Dice metric | 0.8341 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM326618
Similarity: 0.6567
Similarity to MM326618
| Tanimoto metric | 0.6567 |
|---|---|
| Cosine metric | 0.7928 |
| Dice metric | 0.7928 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+260 more
