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DocumentationIdentifier: MM104548
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM104548 |
| SMILES |
CNC(=N)CC(=N)N
|
| InChIKey |
BLBUHNVNNOTSTA-UHFFFAOYSA-N
|
| MW [Da] |
114.15
Automatically obtained from RDkit software. |
| LogP |
-0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM98020
Similarity: 0.7719
Similarity to MM98020
| Tanimoto metric | 0.7719 |
|---|---|
| Cosine metric | 0.8786 |
| Dice metric | 0.8713 |
| MW: | 101.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113018
Similarity: 0.7705
Similarity to MM113018
| Tanimoto metric | 0.7705 |
|---|---|
| Cosine metric | 0.8717 |
| Dice metric | 0.8704 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133921
Similarity: 0.7215
Similarity to MM133921
| Tanimoto metric | 0.7215 |
|---|---|
| Cosine metric | 0.8494 |
| Dice metric | 0.8382 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+101 more
