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DocumentationIdentifier: MM133085
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM133085 |
| SMILES |
N=C(N)CNCC(=N)N
|
| InChIKey |
QJQAPWWFWZPHPD-UHFFFAOYSA-N
|
| MW [Da] |
129.17
Automatically obtained from RDkit software. |
| LogP |
-1.55
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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MM105629
Similarity: 0.9167
Similarity to MM105629
| Tanimoto metric | 0.9167 |
|---|---|
| Cosine metric | 0.9574 |
| Dice metric | 0.9565 |
| MW: | 116.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM97372
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| Tanimoto metric | 0.7917 |
|---|---|
| Cosine metric | 0.8898 |
| Dice metric | 0.8837 |
| MW: | 101.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM166387
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Similarity to MM166387
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8199 |
| Dice metric | 0.8148 |
| MW: | 130.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+92 more
