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DocumentationIdentifier: MM222387
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM222387 |
| SMILES |
COCC(C)(F)C(C)(C)O
|
| InChIKey |
KPSANCYTBPTNTE-UHFFFAOYSA-N
|
| MW [Da] |
150.19
Automatically obtained from RDkit software. |
| LogP |
1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130997
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Similarity to MM130997
| Tanimoto metric | 0.7324 |
|---|---|
| Cosine metric | 0.8558 |
| Dice metric | 0.8455 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58195
Similarity: 0.7209
Similarity to MM58195
| Tanimoto metric | 0.7209 |
|---|---|
| Cosine metric | 0.8385 |
| Dice metric | 0.8378 |
| MW: | 150.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243596
Similarity: 0.6883
Similarity to MM243596
| Tanimoto metric | 0.6883 |
|---|---|
| Cosine metric | 0.8189 |
| Dice metric | 0.8154 |
| MW: | 152.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+160 more
