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DocumentationIdentifier: MM239996
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM239996 |
| SMILES |
CCC(C)(C)CN=CNC
|
| InChIKey |
NFGGVBCIGVZJLQ-UHFFFAOYSA-N
|
| MW [Da] |
142.25
Automatically obtained from RDkit software. |
| LogP |
1.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM372537
Similarity: 0.7126
Similarity to MM372537
| Tanimoto metric | 0.7126 |
|---|---|
| Cosine metric | 0.8322 |
| Dice metric | 0.8322 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM233930
Similarity: 0.6392
Similarity to MM233930
| Tanimoto metric | 0.6392 |
|---|---|
| Cosine metric | 0.7817 |
| Dice metric | 0.7799 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM404881
Similarity: 0.6078
Similarity to MM404881
| Tanimoto metric | 0.6078 |
|---|---|
| Cosine metric | 0.7597 |
| Dice metric | 0.7561 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+131 more
