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DocumentationIdentifier: MM89971
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM89971 |
| SMILES |
C=CCNC(=N)C(C)(C)N
|
| InChIKey |
WROBASHLSCWTQK-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162511
Similarity: 0.7619
Similarity to MM162511
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8649 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231365
Similarity: 0.6755
Similarity to MM231365
| Tanimoto metric | 0.6755 |
|---|---|
| Cosine metric | 0.8063 |
| Dice metric | 0.8063 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231430
Similarity: 0.6689
Similarity to MM231430
| Tanimoto metric | 0.6689 |
|---|---|
| Cosine metric | 0.8016 |
| Dice metric | 0.8016 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+247 more
