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DocumentationIdentifier: MM37495
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM37495 |
| SMILES |
O=CNC(CO)CO
|
| InChIKey |
ZMUNCSIDODXWDP-UHFFFAOYSA-N
|
| MW [Da] |
119.12
Automatically obtained from RDkit software. |
| LogP |
-1.91
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM97916
Similarity: 0.84
Similarity to MM97916
| Tanimoto metric | 0.84 |
|---|---|
| Cosine metric | 0.9165 |
| Dice metric | 0.913 |
| MW: | 103.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53211
Similarity: 0.6944
Similarity to MM53211
| Tanimoto metric | 0.6944 |
|---|---|
| Cosine metric | 0.8333 |
| Dice metric | 0.8197 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139294
Similarity: 0.6944
Similarity to MM139294
| Tanimoto metric | 0.6944 |
|---|---|
| Cosine metric | 0.8333 |
| Dice metric | 0.8197 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+250 more
