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DocumentationIdentifier: MM456752
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM456752 |
| SMILES |
CC=CCN=CNC=CC
|
| InChIKey |
MGGHVCCLNBQOOM-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215379
Similarity: 0.8636
Similarity to MM215379
| Tanimoto metric | 0.8636 |
|---|---|
| Cosine metric | 0.9293 |
| Dice metric | 0.9268 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91206
Similarity: 0.7917
Similarity to MM91206
| Tanimoto metric | 0.7917 |
|---|---|
| Cosine metric | 0.884 |
| Dice metric | 0.8837 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM126697
Similarity: 0.7121
Similarity to MM126697
| Tanimoto metric | 0.7121 |
|---|---|
| Cosine metric | 0.8439 |
| Dice metric | 0.8319 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+319 more
