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DocumentationIdentifier: MM455513
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM455513 |
| SMILES |
CCC(=CF)COC1CC1
|
| InChIKey |
OTCBPWMVYGWHNO-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM341827
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| Tanimoto metric | 0.8305 |
|---|---|
| Cosine metric | 0.9113 |
| Dice metric | 0.9074 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM209256
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| Tanimoto metric | 0.7627 |
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| Cosine metric | 0.8733 |
| Dice metric | 0.8654 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.04 |
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|---|---|---|---|---|---|
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MM209121
Similarity: 0.7373
Similarity to MM209121
| Tanimoto metric | 0.7373 |
|---|---|
| Cosine metric | 0.8587 |
| Dice metric | 0.8488 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+204 more
