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DocumentationIdentifier: MM144641
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM144641 |
| SMILES |
N=C(CN)NCC(F)F
|
| InChIKey |
LKOPETBUCVIWNX-UHFFFAOYSA-N
|
| MW [Da] |
137.13
Automatically obtained from RDkit software. |
| LogP |
-0.22
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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MM224851
Similarity: 0.6522
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| Tanimoto metric | 0.6522 |
|---|---|
| Cosine metric | 0.8076 |
| Dice metric | 0.7895 |
| MW: | 151.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM144743
Similarity: 0.567
Similarity to MM144743
| Tanimoto metric | 0.567 |
|---|---|
| Cosine metric | 0.7237 |
| Dice metric | 0.7237 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM144639
Similarity: 0.5619
Similarity to MM144639
| Tanimoto metric | 0.5619 |
|---|---|
| Cosine metric | 0.7221 |
| Dice metric | 0.7195 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+342 more
