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DocumentationIdentifier: MM393750
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM393750 |
| SMILES |
CC=CCC(CF)C(C)O
|
| InChIKey |
MCTZEVQIEFERJT-UHFFFAOYSA-N
|
| MW [Da] |
146.21
Automatically obtained from RDkit software. |
| LogP |
1.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179637
Similarity: 0.807
Similarity to MM179637
| Tanimoto metric | 0.807 |
|---|---|
| Cosine metric | 0.8983 |
| Dice metric | 0.8932 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM393752
Similarity: 0.7218
Similarity to MM393752
| Tanimoto metric | 0.7218 |
|---|---|
| Cosine metric | 0.8384 |
| Dice metric | 0.8384 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306679
Similarity: 0.6739
Similarity to MM306679
| Tanimoto metric | 0.6739 |
|---|---|
| Cosine metric | 0.8053 |
| Dice metric | 0.8052 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+411 more
