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DocumentationIdentifier: MM402354
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM402354 |
| SMILES |
O=CNCCC(CO)CO
|
| InChIKey |
KFJCPVYETVYZCZ-UHFFFAOYSA-N
|
| MW [Da] |
147.17
Automatically obtained from RDkit software. |
| LogP |
-1.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM165694
Similarity: 0.8904
Similarity to MM165694
| Tanimoto metric | 0.8904 |
|---|---|
| Cosine metric | 0.9436 |
| Dice metric | 0.942 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198514
Similarity: 0.7808
Similarity to MM198514
| Tanimoto metric | 0.7808 |
|---|---|
| Cosine metric | 0.8836 |
| Dice metric | 0.8769 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM315708
Similarity: 0.7143
Similarity to MM315708
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8351 |
| Dice metric | 0.8333 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+376 more
