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DocumentationIdentifier: MM392584
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM392584 |
| SMILES |
CC(C)C(C=O)OCCF
|
| InChIKey |
FLQBSVPOMCOCEC-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
1.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM161999
Similarity: 0.6602
Similarity to MM161999
| Tanimoto metric | 0.6602 |
|---|---|
| Cosine metric | 0.8125 |
| Dice metric | 0.7953 |
| MW: | 134.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15870
Similarity: 0.6423
Similarity to MM15870
| Tanimoto metric | 0.6423 |
|---|---|
| Cosine metric | 0.7823 |
| Dice metric | 0.7822 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387195
Similarity: 0.6124
Similarity to MM387195
| Tanimoto metric | 0.6124 |
|---|---|
| Cosine metric | 0.7597 |
| Dice metric | 0.7596 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+312 more
