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DocumentationIdentifier: MM58013
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58013 |
| SMILES |
C=CN(C)C=NCC=O
|
| InChIKey |
ATJDZYFFOQLPIR-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM114145
Similarity: 0.7612
Similarity to MM114145
| Tanimoto metric | 0.7612 |
|---|---|
| Cosine metric | 0.8725 |
| Dice metric | 0.8644 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM260019
Similarity: 0.7444
Similarity to MM260019
| Tanimoto metric | 0.7444 |
|---|---|
| Cosine metric | 0.8628 |
| Dice metric | 0.8535 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM321416
Similarity: 0.7363
Similarity to MM321416
| Tanimoto metric | 0.7363 |
|---|---|
| Cosine metric | 0.8581 |
| Dice metric | 0.8481 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+145 more
