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DocumentationIdentifier: MM420410
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM420410 |
| SMILES |
CCC=C(C)N(C=O)CC
|
| InChIKey |
QBZTUFPDBFHCJK-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.78
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM175302
Similarity: 0.736
Similarity to MM175302
| Tanimoto metric | 0.736 |
|---|---|
| Cosine metric | 0.8579 |
| Dice metric | 0.8479 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM380518
Similarity: 0.6755
Similarity to MM380518
| Tanimoto metric | 0.6755 |
|---|---|
| Cosine metric | 0.8064 |
| Dice metric | 0.8063 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360247
Similarity: 0.6596
Similarity to MM360247
| Tanimoto metric | 0.6596 |
|---|---|
| Cosine metric | 0.7967 |
| Dice metric | 0.7949 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+355 more
