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DocumentationIdentifier: MM452944
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM452944 |
| SMILES |
C=CC=CNC=NCCN
|
| InChIKey |
LHKGJLIXBMRUJK-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM91296
Similarity: 0.76
Similarity to MM91296
| Tanimoto metric | 0.76 |
|---|---|
| Cosine metric | 0.8637 |
| Dice metric | 0.8636 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM453237
Similarity: 0.7403
Similarity to MM453237
| Tanimoto metric | 0.7403 |
|---|---|
| Cosine metric | 0.8507 |
| Dice metric | 0.8507 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM71356
Similarity: 0.7037
Similarity to MM71356
| Tanimoto metric | 0.7037 |
|---|---|
| Cosine metric | 0.8264 |
| Dice metric | 0.8261 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+332 more
