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DocumentationIdentifier: MM69250
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM69250 |
| SMILES |
C#CC=C(CNC)COC
|
| InChIKey |
MMOUKZJNARREKR-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178487
Similarity: 0.7807
Similarity to MM178487
| Tanimoto metric | 0.7807 |
|---|---|
| Cosine metric | 0.8836 |
| Dice metric | 0.8768 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM69520
Similarity: 0.7632
Similarity to MM69520
| Tanimoto metric | 0.7632 |
|---|---|
| Cosine metric | 0.8736 |
| Dice metric | 0.8657 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM389666
Similarity: 0.6742
Similarity to MM389666
| Tanimoto metric | 0.6742 |
|---|---|
| Cosine metric | 0.8058 |
| Dice metric | 0.8054 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+353 more
