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DocumentationIdentifier: MM104267
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM104267 |
| SMILES |
N=C(N)CC(N)CN
|
| InChIKey |
HNAACQPNRYEAPF-UHFFFAOYSA-N
|
| MW [Da] |
116.17
Automatically obtained from RDkit software. |
| LogP |
-1.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM97156
Similarity: 0.7188
Similarity to MM97156
| Tanimoto metric | 0.7188 |
|---|---|
| Cosine metric | 0.8478 |
| Dice metric | 0.8364 |
| MW: | 101.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM108164
Similarity: 0.6923
Similarity to MM108164
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8186 |
| Dice metric | 0.8182 |
| MW: | 116.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141972
Similarity: 0.6882
Similarity to MM141972
| Tanimoto metric | 0.6882 |
|---|---|
| Cosine metric | 0.8296 |
| Dice metric | 0.8153 |
| MW: | 130.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+335 more
