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DocumentationIdentifier: MM180160
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM180160 |
| SMILES |
C=C(C)C(C=CC)NC
|
| InChIKey |
FLKRGNKUHPETGV-UHFFFAOYSA-N
|
| MW [Da] |
125.22
Automatically obtained from RDkit software. |
| LogP |
1.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM395417
Similarity: 0.8455
Similarity to MM395417
| Tanimoto metric | 0.8455 |
|---|---|
| Cosine metric | 0.9195 |
| Dice metric | 0.9163 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75696
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Similarity to MM75696
| Tanimoto metric | 0.8455 |
|---|---|
| Cosine metric | 0.9195 |
| Dice metric | 0.9163 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM395521
Similarity: 0.823
Similarity to MM395521
| Tanimoto metric | 0.823 |
|---|---|
| Cosine metric | 0.9072 |
| Dice metric | 0.9029 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+404 more
