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DocumentationIdentifier: MM437922
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM437922 |
| SMILES |
CCCNC=C(C=O)CC
|
| InChIKey |
BVLRSHWLCLXDPE-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM295058
Similarity: 0.7798
Similarity to MM295058
| Tanimoto metric | 0.7798 |
|---|---|
| Cosine metric | 0.877 |
| Dice metric | 0.8763 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM346686
Similarity: 0.7736
Similarity to MM346686
| Tanimoto metric | 0.7736 |
|---|---|
| Cosine metric | 0.8724 |
| Dice metric | 0.8723 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM438632
Similarity: 0.7387
Similarity to MM438632
| Tanimoto metric | 0.7387 |
|---|---|
| Cosine metric | 0.8503 |
| Dice metric | 0.8497 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+369 more
