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DocumentationIdentifier: MM346333
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM346333 |
| SMILES |
C=CC(=CF)CC=C(C)C
|
| InChIKey |
BJADDFFIGPJFMQ-UHFFFAOYSA-N
|
| MW [Da] |
140.2
Automatically obtained from RDkit software. |
| LogP |
3.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM420605
Similarity: 0.7551
Similarity to MM420605
| Tanimoto metric | 0.7551 |
|---|---|
| Cosine metric | 0.8607 |
| Dice metric | 0.8605 |
| MW: | 138.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM420611
Similarity: 0.7333
Similarity to MM420611
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8466 |
| Dice metric | 0.8462 |
| MW: | 137.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM146498
Similarity: 0.7273
Similarity to MM146498
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+295 more
