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DocumentationIdentifier: MM167319
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM167319 |
| SMILES |
CN(C=N)CCC=CF
|
| InChIKey |
QBFOCMTZHIGFTI-UHFFFAOYSA-N
|
| MW [Da] |
130.17
Automatically obtained from RDkit software. |
| LogP |
1.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM279419
Similarity: 0.8193
Similarity to MM279419
| Tanimoto metric | 0.8193 |
|---|---|
| Cosine metric | 0.9051 |
| Dice metric | 0.9007 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7473 |
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| Cosine metric | 0.8644 |
| Dice metric | 0.8553 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.79 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM405281
Similarity: 0.7312
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| Tanimoto metric | 0.7312 |
|---|---|
| Cosine metric | 0.8551 |
| Dice metric | 0.8447 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+346 more
