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DocumentationIdentifier: MM180004
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM180004 |
| SMILES |
N#CCC(C=O)C(=N)N
|
| InChIKey |
LZXDEPMQJNYCEH-UHFFFAOYSA-N
|
| MW [Da] |
125.13
Automatically obtained from RDkit software. |
| LogP |
-0.35
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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MM378272
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| Tanimoto metric | 0.7292 |
|---|---|
| Cosine metric | 0.8539 |
| Dice metric | 0.8434 |
| MW: | 139.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8452 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.15 |
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| AI: | 0
Total active interactions
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MM181030
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Similarity to MM181030
| Tanimoto metric | 0.6 |
|---|---|
| Cosine metric | 0.7509 |
| Dice metric | 0.75 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+68 more
