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DocumentationIdentifier: MM279239
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM279239 |
| SMILES |
C=C(C=CF)CCNCC
|
| InChIKey |
NLWWAKWFBIGCBS-UHFFFAOYSA-N
|
| MW [Da] |
143.21
Automatically obtained from RDkit software. |
| LogP |
2.03
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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MM96158
Similarity: 0.875
Similarity to MM96158
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM87563
Similarity: 0.7614
Similarity to MM87563
| Tanimoto metric | 0.7614 |
|---|---|
| Cosine metric | 0.8726 |
| Dice metric | 0.8645 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM251581
Similarity: 0.7549
Similarity to MM251581
| Tanimoto metric | 0.7549 |
|---|---|
| Cosine metric | 0.8605 |
| Dice metric | 0.8603 |
| MW: | 143.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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