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DocumentationIdentifier: MM274324
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM274324 |
| SMILES |
CCCC(=CC(F)F)CN
|
| InChIKey |
LMYBXUFFMCAVGZ-UHFFFAOYSA-N
|
| MW [Da] |
149.18
Automatically obtained from RDkit software. |
| LogP |
1.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM71806
Similarity: 0.8
Similarity to MM71806
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 135.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM380980
Similarity: 0.7345
Similarity to MM380980
| Tanimoto metric | 0.7345 |
|---|---|
| Cosine metric | 0.8471 |
| Dice metric | 0.8469 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM380982
Similarity: 0.7069
Similarity to MM380982
| Tanimoto metric | 0.7069 |
|---|---|
| Cosine metric | 0.8283 |
| Dice metric | 0.8283 |
| MW: | 149.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+701 more
