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DocumentationIdentifier: MM70049
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM70049 |
| SMILES |
C#CC(=CC)NC(=N)CN
|
| InChIKey |
FDYYHIJVDDLWDV-UHFFFAOYSA-N
|
| MW [Da] |
137.19
Automatically obtained from RDkit software. |
| LogP |
0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150586
Similarity: 0.7681
Similarity to MM150586
| Tanimoto metric | 0.7681 |
|---|---|
| Cosine metric | 0.8764 |
| Dice metric | 0.8689 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73034
Similarity: 0.7319
Similarity to MM73034
| Tanimoto metric | 0.7319 |
|---|---|
| Cosine metric | 0.8555 |
| Dice metric | 0.8452 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM273893
Similarity: 0.6832
Similarity to MM273893
| Tanimoto metric | 0.6832 |
|---|---|
| Cosine metric | 0.8119 |
| Dice metric | 0.8118 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+189 more
