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DocumentationIdentifier: MM108165
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM108165 |
| SMILES |
N=C(N)C(N)CCO
|
| InChIKey |
QJKPLOOWABFNBT-UHFFFAOYSA-N
|
| MW [Da] |
117.15
Automatically obtained from RDkit software. |
| LogP |
-1.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172374
Similarity: 0.7048
Similarity to MM172374
| Tanimoto metric | 0.7048 |
|---|---|
| Cosine metric | 0.8395 |
| Dice metric | 0.8268 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133629
Similarity: 0.6789
Similarity to MM133629
| Tanimoto metric | 0.6789 |
|---|---|
| Cosine metric | 0.824 |
| Dice metric | 0.8087 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160119
Similarity: 0.6379
Similarity to MM160119
| Tanimoto metric | 0.6379 |
|---|---|
| Cosine metric | 0.7987 |
| Dice metric | 0.7789 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+375 more
