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DocumentationIdentifier: MM363411
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM363411 |
| SMILES |
C=COCCNC(C)CO
|
| InChIKey |
OLSATDPAPNXTKR-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
MM165633
Similarity: 0.8358
Similarity to MM165633
| Tanimoto metric | 0.8358 |
|---|---|
| Cosine metric | 0.9142 |
| Dice metric | 0.9106 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59157
Similarity: 0.8125
Similarity to MM59157
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.8991 |
| Dice metric | 0.8966 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM402242
Similarity: 0.7467
Similarity to MM402242
| Tanimoto metric | 0.7467 |
|---|---|
| Cosine metric | 0.8552 |
| Dice metric | 0.855 |
| MW: | 149.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+385 more
