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DocumentationIdentifier: MM279089
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM279089 |
| SMILES |
NC(=O)C(=CCF)CC=O
|
| InChIKey |
AFPGVPWJMVFRHO-UHFFFAOYSA-N
|
| MW [Da] |
145.13
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
MM290576
Similarity: 0.6795
Similarity to MM290576
| Tanimoto metric | 0.6795 |
|---|---|
| Cosine metric | 0.8111 |
| Dice metric | 0.8092 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM298442
Similarity: 0.6743
Similarity to MM298442
| Tanimoto metric | 0.6743 |
|---|---|
| Cosine metric | 0.8063 |
| Dice metric | 0.8055 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM297282
Similarity: 0.673
Similarity to MM297282
| Tanimoto metric | 0.673 |
|---|---|
| Cosine metric | 0.8056 |
| Dice metric | 0.8045 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+205 more
