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DocumentationIdentifier: MM132612
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM132612 |
| SMILES |
CC(F)C(C)(C)CC=O
|
| InChIKey |
RLFZMDFGDKGYCB-UHFFFAOYSA-N
|
| MW [Da] |
132.18
Automatically obtained from RDkit software. |
| LogP |
1.96
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM243620
Similarity: 0.7476
Similarity to MM243620
| Tanimoto metric | 0.7476 |
|---|---|
| Cosine metric | 0.8646 |
| Dice metric | 0.8556 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM34373
Similarity: 0.7403
Similarity to MM34373
| Tanimoto metric | 0.7403 |
|---|---|
| Cosine metric | 0.8604 |
| Dice metric | 0.8507 |
| MW: | 118.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139267
Similarity: 0.7229
Similarity to MM139267
| Tanimoto metric | 0.7229 |
|---|---|
| Cosine metric | 0.8417 |
| Dice metric | 0.8392 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+414 more
