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DocumentationIdentifier: MM104472
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM104472 |
| SMILES |
CC(C)OC(=O)CF
|
| InChIKey |
HERCSPPGAAQXBN-UHFFFAOYSA-N
|
| MW [Da] |
120.12
Automatically obtained from RDkit software. |
| LogP |
0.91
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130178
Similarity: 0.8158
Similarity to MM130178
| Tanimoto metric | 0.8158 |
|---|---|
| Cosine metric | 0.9032 |
| Dice metric | 0.8986 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142083
Similarity: 0.7561
Similarity to MM142083
| Tanimoto metric | 0.7561 |
|---|---|
| Cosine metric | 0.8695 |
| Dice metric | 0.8611 |
| MW: | 138.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133833
Similarity: 0.7561
Similarity to MM133833
| Tanimoto metric | 0.7561 |
|---|---|
| Cosine metric | 0.8695 |
| Dice metric | 0.8611 |
| MW: | 138.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+392 more
