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DocumentationIdentifier: MM50192
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM50192 |
| SMILES |
CNC(C=CC=O)CC=O
|
| InChIKey |
IVJYQGLGKWGLSU-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM56674
Similarity: 0.8416
Similarity to MM56674
| Tanimoto metric | 0.8416 |
|---|---|
| Cosine metric | 0.9174 |
| Dice metric | 0.914 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377689
Similarity: 0.7456
Similarity to MM377689
| Tanimoto metric | 0.7456 |
|---|---|
| Cosine metric | 0.8544 |
| Dice metric | 0.8543 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377772
Similarity: 0.7083
Similarity to MM377772
| Tanimoto metric | 0.7083 |
|---|---|
| Cosine metric | 0.8294 |
| Dice metric | 0.8293 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+139 more
