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DocumentationIdentifier: MM386254
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386254 |
| SMILES |
CNCCC(CN)NC=N
|
| InChIKey |
IMBWLHPPLCFZDO-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
-0.88
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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MM155883
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Similarity to MM155883
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8235 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM375946
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Similarity to MM375946
| Tanimoto metric | 0.6552 |
|---|---|
| Cosine metric | 0.7932 |
| Dice metric | 0.7917 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM261394
Similarity: 0.6068
Similarity to MM261394
| Tanimoto metric | 0.6068 |
|---|---|
| Cosine metric | 0.756 |
| Dice metric | 0.7553 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+255 more
