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DocumentationIdentifier: MM263784
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM263784 |
| SMILES |
C#CC(=C)NC(=N)CCC
|
| InChIKey |
HEOLCLXWCICXQD-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142795
Similarity: 0.816
Similarity to MM142795
| Tanimoto metric | 0.816 |
|---|---|
| Cosine metric | 0.9033 |
| Dice metric | 0.8987 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135513
Similarity: 0.76
Similarity to MM135513
| Tanimoto metric | 0.76 |
|---|---|
| Cosine metric | 0.8718 |
| Dice metric | 0.8636 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM263833
Similarity: 0.731
Similarity to MM263833
| Tanimoto metric | 0.731 |
|---|---|
| Cosine metric | 0.8446 |
| Dice metric | 0.8446 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+397 more
