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DocumentationIdentifier: MM57835
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM57835 |
| SMILES |
C#CC(COC)N=CNC
|
| InChIKey |
RWKSACOAFPWKLB-UHFFFAOYSA-N
|
| MW [Da] |
140.19
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
MM343590
Similarity: 0.6855
Similarity to MM343590
| Tanimoto metric | 0.6855 |
|---|---|
| Cosine metric | 0.815 |
| Dice metric | 0.8134 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156720
Similarity: 0.6847
Similarity to MM156720
| Tanimoto metric | 0.6847 |
|---|---|
| Cosine metric | 0.8275 |
| Dice metric | 0.8128 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75335
Similarity: 0.6341
Similarity to MM75335
| Tanimoto metric | 0.6341 |
|---|---|
| Cosine metric | 0.7804 |
| Dice metric | 0.7761 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+41 more
