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DocumentationIdentifier: MM141972
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM141972 |
| SMILES |
CNC(=N)CC(N)CN
|
| InChIKey |
ZZNFNOOBBLWXMI-UHFFFAOYSA-N
|
| MW [Da] |
130.2
Automatically obtained from RDkit software. |
| LogP |
-1.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM262436
Similarity: 0.8087
Similarity to MM262436
| Tanimoto metric | 0.8087 |
|---|---|
| Cosine metric | 0.8993 |
| Dice metric | 0.8942 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM246033
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| Tanimoto metric | 0.7949 |
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| Cosine metric | 0.8916 |
| Dice metric | 0.8857 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.8 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM328535
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Similarity to MM328535
| Tanimoto metric | 0.7815 |
|---|---|
| Cosine metric | 0.884 |
| Dice metric | 0.8774 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+555 more
