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DocumentationIdentifier: MM73454
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM73454 |
| SMILES |
C=CC=CCC(O)C(N)=O
|
| InChIKey |
PDPRJBSCPVWXTN-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM304373
Similarity: 0.7372
Similarity to MM304373
| Tanimoto metric | 0.7372 |
|---|---|
| Cosine metric | 0.8489 |
| Dice metric | 0.8487 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM34458
Similarity: 0.6923
Similarity to MM34458
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8321 |
| Dice metric | 0.8182 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM352986
Similarity: 0.6779
Similarity to MM352986
| Tanimoto metric | 0.6779 |
|---|---|
| Cosine metric | 0.8097 |
| Dice metric | 0.808 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+249 more
