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DocumentationIdentifier: MM269198
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM269198 |
| SMILES |
CC(C)N=C(N)C(C)C=O
|
| InChIKey |
VVJRJSAFFZUOEL-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM96182
Similarity: 0.8393
Similarity to MM96182
| Tanimoto metric | 0.8393 |
|---|---|
| Cosine metric | 0.9161 |
| Dice metric | 0.9126 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM410246
Similarity: 0.7642
Similarity to MM410246
| Tanimoto metric | 0.7642 |
|---|---|
| Cosine metric | 0.8668 |
| Dice metric | 0.8664 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91885
Similarity: 0.7232
Similarity to MM91885
| Tanimoto metric | 0.7232 |
|---|---|
| Cosine metric | 0.8504 |
| Dice metric | 0.8394 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+129 more
