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DocumentationIdentifier: MM281149
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM281149 |
| SMILES |
C=CNC(=N)CC#CCO
|
| InChIKey |
SESVMJNFUDPFAN-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM281147
Similarity: 0.7593
Similarity to MM281147
| Tanimoto metric | 0.7593 |
|---|---|
| Cosine metric | 0.8644 |
| Dice metric | 0.8632 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281148
Similarity: 0.7321
Similarity to MM281148
| Tanimoto metric | 0.7321 |
|---|---|
| Cosine metric | 0.8458 |
| Dice metric | 0.8454 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM96187
Similarity: 0.6949
Similarity to MM96187
| Tanimoto metric | 0.6949 |
|---|---|
| Cosine metric | 0.82 |
| Dice metric | 0.82 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+176 more
