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DocumentationIdentifier: MM163283
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM163283 |
| SMILES |
C=CC=CC(C)C(=N)N
|
| InChIKey |
WTTALFAYGKXUOE-UHFFFAOYSA-N
|
| MW [Da] |
124.19
Automatically obtained from RDkit software. |
| LogP |
1.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM293531
Similarity: 0.8936
Similarity to MM293531
| Tanimoto metric | 0.8936 |
|---|---|
| Cosine metric | 0.9453 |
| Dice metric | 0.9438 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293533
Similarity: 0.8317
Similarity to MM293533
| Tanimoto metric | 0.8317 |
|---|---|
| Cosine metric | 0.912 |
| Dice metric | 0.9081 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108608
Similarity: 0.7976
Similarity to MM108608
| Tanimoto metric | 0.7976 |
|---|---|
| Cosine metric | 0.8931 |
| Dice metric | 0.8874 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+294 more
