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DocumentationIdentifier: MM172352
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172352 |
| SMILES |
C=C(CO)C(O)CNC
|
| InChIKey |
FIYQUDGXEQRQKS-UHFFFAOYSA-N
|
| MW [Da] |
131.18
Automatically obtained from RDkit software. |
| LogP |
-0.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM75219
Similarity: 0.7677
Similarity to MM75219
| Tanimoto metric | 0.7677 |
|---|---|
| Cosine metric | 0.8762 |
| Dice metric | 0.8686 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111710
Similarity: 0.7374
Similarity to MM111710
| Tanimoto metric | 0.7374 |
|---|---|
| Cosine metric | 0.8587 |
| Dice metric | 0.8488 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM78928
Similarity: 0.6609
Similarity to MM78928
| Tanimoto metric | 0.6609 |
|---|---|
| Cosine metric | 0.7963 |
| Dice metric | 0.7958 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+555 more
