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DocumentationIdentifier: MM64906
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM64906 |
| SMILES |
C=CC(O)CC(=O)NCC
|
| InChIKey |
SQGRYUNWWBLOFS-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42957
Similarity: 0.8279
Similarity to MM42957
| Tanimoto metric | 0.8279 |
|---|---|
| Cosine metric | 0.9099 |
| Dice metric | 0.9058 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135363
Similarity: 0.7623
Similarity to MM135363
| Tanimoto metric | 0.7623 |
|---|---|
| Cosine metric | 0.8731 |
| Dice metric | 0.8651 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59694
Similarity: 0.7154
Similarity to MM59694
| Tanimoto metric | 0.7154 |
|---|---|
| Cosine metric | 0.8378 |
| Dice metric | 0.8341 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+449 more
