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DocumentationIdentifier: MM61809
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM61809 |
| SMILES |
COCC(=N)N(C)CC#N
|
| InChIKey |
LDOFDXYLMNISEB-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM53717
Similarity: 0.7983
Similarity to MM53717
| Tanimoto metric | 0.7983 |
|---|---|
| Cosine metric | 0.8935 |
| Dice metric | 0.8879 |
| MW: | 127.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM48841
Similarity: 0.7252
Similarity to MM48841
| Tanimoto metric | 0.7252 |
|---|---|
| Cosine metric | 0.8419 |
| Dice metric | 0.8407 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61272
Similarity: 0.7059
Similarity to MM61272
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8402 |
| Dice metric | 0.8276 |
| MW: | 127.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+179 more
