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DocumentationIdentifier: MM15870
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15870 |
| SMILES |
O=CCC(C=O)OCCF
|
| InChIKey |
QIAKWIOOSZOWSB-UHFFFAOYSA-N
|
| MW [Da] |
148.13
Automatically obtained from RDkit software. |
| LogP |
0.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM15859
Similarity: 0.7429
Similarity to MM15859
| Tanimoto metric | 0.7429 |
|---|---|
| Cosine metric | 0.8553 |
| Dice metric | 0.8525 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387195
Similarity: 0.6452
Similarity to MM387195
| Tanimoto metric | 0.6452 |
|---|---|
| Cosine metric | 0.7847 |
| Dice metric | 0.7843 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM392584
Similarity: 0.6423
Similarity to MM392584
| Tanimoto metric | 0.6423 |
|---|---|
| Cosine metric | 0.7823 |
| Dice metric | 0.7822 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+206 more
