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DocumentationIdentifier: MM75863
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM75863 |
| SMILES |
C=C(CO)OC(C)CNC
|
| InChIKey |
RJLCPFAJXCHASE-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: 0.7857
Similarity to MM135241
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272282
Similarity: 0.6884
Similarity to MM272282
| Tanimoto metric | 0.6884 |
|---|---|
| Cosine metric | 0.8161 |
| Dice metric | 0.8155 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261967
Similarity: 0.6769
Similarity to MM261967
| Tanimoto metric | 0.6769 |
|---|---|
| Cosine metric | 0.8076 |
| Dice metric | 0.8073 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+356 more
