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DocumentationIdentifier: MM392902
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM392902 |
| SMILES |
CCNCC(OC)C(=N)N
|
| InChIKey |
SBIIHLWLUISQCR-UHFFFAOYSA-N
|
| MW [Da] |
145.21
Automatically obtained from RDkit software. |
| LogP |
-0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179824
Similarity: 0.8374
Similarity to MM179824
| Tanimoto metric | 0.8374 |
|---|---|
| Cosine metric | 0.9151 |
| Dice metric | 0.9115 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162159
Similarity: 0.7317
Similarity to MM162159
| Tanimoto metric | 0.7317 |
|---|---|
| Cosine metric | 0.8554 |
| Dice metric | 0.8451 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM393082
Similarity: 0.7123
Similarity to MM393082
| Tanimoto metric | 0.7123 |
|---|---|
| Cosine metric | 0.8321 |
| Dice metric | 0.832 |
| MW: | 144.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+184 more
