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DocumentationIdentifier: MM418025
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM418025 |
| SMILES |
CCC=CCC(=CF)CC
|
| InChIKey |
SIQFJKFCFWZOJK-UHFFFAOYSA-N
|
| MW [Da] |
142.22
Automatically obtained from RDkit software. |
| LogP |
3.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200273
Similarity: 0.8947
Similarity to MM200273
| Tanimoto metric | 0.8947 |
|---|---|
| Cosine metric | 0.9459 |
| Dice metric | 0.9444 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM419050
Similarity: 0.8161
Similarity to MM419050
| Tanimoto metric | 0.8161 |
|---|---|
| Cosine metric | 0.8994 |
| Dice metric | 0.8987 |
| MW: | 140.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM375209
Similarity: 0.7949
Similarity to MM375209
| Tanimoto metric | 0.7949 |
|---|---|
| Cosine metric | 0.889 |
| Dice metric | 0.8857 |
| MW: | 142.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+557 more
