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DocumentationIdentifier: MM150426
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM150426 |
| SMILES |
C=C(C)NC(CN)=NC
|
| InChIKey |
WLSQHTYQETWIGF-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
0.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM81281
Similarity: 0.8268
Similarity to MM81281
| Tanimoto metric | 0.8268 |
|---|---|
| Cosine metric | 0.9093 |
| Dice metric | 0.9052 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM71722
Similarity: 0.7664
Similarity to MM71722
| Tanimoto metric | 0.7664 |
|---|---|
| Cosine metric | 0.8755 |
| Dice metric | 0.8678 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334055
Similarity: 0.7554
Similarity to MM334055
| Tanimoto metric | 0.7554 |
|---|---|
| Cosine metric | 0.8691 |
| Dice metric | 0.8607 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+436 more
