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DocumentationIdentifier: MM102767
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM102767 |
| SMILES |
CC(C)(F)COC=O
|
| InChIKey |
XNMPYISNPNAUMN-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
MM25825
Similarity: 0.7288
Similarity to MM25825
| Tanimoto metric | 0.7288 |
|---|---|
| Cosine metric | 0.8537 |
| Dice metric | 0.8431 |
| MW: | 106.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM308150
Similarity: 0.6941
Similarity to MM308150
| Tanimoto metric | 0.6941 |
|---|---|
| Cosine metric | 0.8331 |
| Dice metric | 0.8194 |
| MW: | 152.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130434
Similarity: 0.686
Similarity to MM130434
| Tanimoto metric | 0.686 |
|---|---|
| Cosine metric | 0.8283 |
| Dice metric | 0.8138 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+352 more
