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DocumentationIdentifier: MM84503
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM84503 |
| SMILES |
CC(=CC#N)N(C)C=N
|
| InChIKey |
RHYSUFSQZOEHDA-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
0.95
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM79262
Similarity: 0.7252
Similarity to MM79262
| Tanimoto metric | 0.7252 |
|---|---|
| Cosine metric | 0.8516 |
| Dice metric | 0.8407 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383276
Similarity: 0.7143
Similarity to MM383276
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM85104
Similarity: 0.7053
Similarity to MM85104
| Tanimoto metric | 0.7053 |
|---|---|
| Cosine metric | 0.8398 |
| Dice metric | 0.8272 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+201 more
