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DocumentationIdentifier: MM391900
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM391900 |
| SMILES |
C=CC(C)=C(CN)C(N)=O
|
| InChIKey |
XDEYKATWEOQRSA-UHFFFAOYSA-N
|
| MW [Da] |
140.19
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
MM316023
Similarity: 0.7967
Similarity to MM316023
| Tanimoto metric | 0.7967 |
|---|---|
| Cosine metric | 0.8926 |
| Dice metric | 0.8869 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM180733
Similarity: 0.7561
Similarity to MM180733
| Tanimoto metric | 0.7561 |
|---|---|
| Cosine metric | 0.8695 |
| Dice metric | 0.8611 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35139
Similarity: 0.7398
Similarity to MM35139
| Tanimoto metric | 0.7398 |
|---|---|
| Cosine metric | 0.8601 |
| Dice metric | 0.8505 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+296 more
