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DocumentationIdentifier: MM362200
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM362200 |
| SMILES |
C=COCC(O)C(N)CO
|
| InChIKey |
NLEWPUQWLULULJ-UHFFFAOYSA-N
|
| MW [Da] |
147.17
Automatically obtained from RDkit software. |
| LogP |
-1.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM72245
Similarity: 0.8017
Similarity to MM72245
| Tanimoto metric | 0.8017 |
|---|---|
| Cosine metric | 0.8954 |
| Dice metric | 0.89 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171848
Similarity: 0.7845
Similarity to MM171848
| Tanimoto metric | 0.7845 |
|---|---|
| Cosine metric | 0.8857 |
| Dice metric | 0.8792 |
| MW: | 135.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM361937
Similarity: 0.6992
Similarity to MM361937
| Tanimoto metric | 0.6992 |
|---|---|
| Cosine metric | 0.8233 |
| Dice metric | 0.823 |
| MW: | 149.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+243 more
