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DocumentationIdentifier: MM272282
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM272282 |
| SMILES |
C=C(C)OC(CO)CNC
|
| InChIKey |
NDWWSKUKKYQQJE-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135241
Similarity: 0.7273
Similarity to MM135241
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75863
Similarity: 0.6884
Similarity to MM75863
| Tanimoto metric | 0.6884 |
|---|---|
| Cosine metric | 0.8161 |
| Dice metric | 0.8155 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328749
Similarity: 0.6596
Similarity to MM328749
| Tanimoto metric | 0.6596 |
|---|---|
| Cosine metric | 0.7953 |
| Dice metric | 0.7949 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+188 more
