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DocumentationIdentifier: MM418425
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM418425 |
| SMILES |
CC=C(CC)NC=NCC
|
| InChIKey |
JVKKALLPSNYOCO-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.94
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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MM168544
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| Tanimoto metric | 0.7353 |
|---|---|
| Cosine metric | 0.8575 |
| Dice metric | 0.8475 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM168945
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| Tanimoto metric | 0.7157 |
|---|---|
| Cosine metric | 0.846 |
| Dice metric | 0.8343 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM376986
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Similarity to MM376986
| Tanimoto metric | 0.6977 |
|---|---|
| Cosine metric | 0.8239 |
| Dice metric | 0.8219 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+396 more
