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DocumentationIdentifier: MM156680
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM156680 |
| SMILES |
CC(CC=CF)CCF
|
| InChIKey |
BANSSXAABZGXAI-UHFFFAOYSA-N
|
| MW [Da] |
134.17
Automatically obtained from RDkit software. |
| LogP |
2.86
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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MM352570
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| Tanimoto metric | 0.7654 |
|---|---|
| Cosine metric | 0.8749 |
| Dice metric | 0.8671 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8695 |
| Dice metric | 0.8611 |
| MW: | 152.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.81 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM388104
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Similarity to MM388104
| Tanimoto metric | 0.747 |
|---|---|
| Cosine metric | 0.8643 |
| Dice metric | 0.8552 |
| MW: | 146.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+585 more
