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DocumentationIdentifier: MM384944
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM384944 |
| SMILES |
CCC(NC=N)=C(C)CN
|
| InChIKey |
ZXYZLVQOBZNBNA-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178952
Similarity: 0.7077
Similarity to MM178952
| Tanimoto metric | 0.7077 |
|---|---|
| Cosine metric | 0.8412 |
| Dice metric | 0.8288 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM422578
Similarity: 0.6761
Similarity to MM422578
| Tanimoto metric | 0.6761 |
|---|---|
| Cosine metric | 0.8102 |
| Dice metric | 0.8067 |
| MW: | 142.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM297117
Similarity: 0.6533
Similarity to MM297117
| Tanimoto metric | 0.6533 |
|---|---|
| Cosine metric | 0.7912 |
| Dice metric | 0.7903 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+349 more
