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DocumentationIdentifier: MM75700
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM75700 |
| SMILES |
C=CN(C=C)C=NCCN
|
| InChIKey |
WKJOMEXAWFITNG-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200805
Similarity: 0.8429
Similarity to MM200805
| Tanimoto metric | 0.8429 |
|---|---|
| Cosine metric | 0.9181 |
| Dice metric | 0.9147 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM93950
Similarity: 0.7949
Similarity to MM93950
| Tanimoto metric | 0.7949 |
|---|---|
| Cosine metric | 0.8857 |
| Dice metric | 0.8857 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114145
Similarity: 0.7286
Similarity to MM114145
| Tanimoto metric | 0.7286 |
|---|---|
| Cosine metric | 0.8536 |
| Dice metric | 0.843 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+224 more
