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DocumentationIdentifier: MM85399
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM85399 |
| SMILES |
C=CC(CNC)C(=C)CO
|
| InChIKey |
UOBZMFWIESKJOA-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
0.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM75456
Similarity: 0.7642
Similarity to MM75456
| Tanimoto metric | 0.7642 |
|---|---|
| Cosine metric | 0.8742 |
| Dice metric | 0.8664 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91523
Similarity: 0.7561
Similarity to MM91523
| Tanimoto metric | 0.7561 |
|---|---|
| Cosine metric | 0.8695 |
| Dice metric | 0.8611 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM86689
Similarity: 0.6911
Similarity to MM86689
| Tanimoto metric | 0.6911 |
|---|---|
| Cosine metric | 0.8313 |
| Dice metric | 0.8173 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+263 more
