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DocumentationIdentifier: MM150608
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM150608 |
| SMILES |
CCC(C=C(C)F)CC
|
| InChIKey |
GTCCKADLFXVDLI-UHFFFAOYSA-N
|
| MW [Da] |
130.21
Automatically obtained from RDkit software. |
| LogP |
3.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM104757
Similarity: 0.8571
Similarity to MM104757
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 116.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM335141
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| Tanimoto metric | 0.814 |
|---|---|
| Cosine metric | 0.9022 |
| Dice metric | 0.8974 |
| MW: | 144.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM229593
Similarity: 0.7609
Similarity to MM229593
| Tanimoto metric | 0.7609 |
|---|---|
| Cosine metric | 0.8723 |
| Dice metric | 0.8642 |
| MW: | 144.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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