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DocumentationIdentifier: MM51113
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM51113 |
| SMILES |
C#CC(=NCC)NCCO
|
| InChIKey |
BRPXKAJFAZIIRZ-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
-0.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM57923
Similarity: 0.8333
Similarity to MM57923
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179319
Similarity: 0.787
Similarity to MM179319
| Tanimoto metric | 0.787 |
|---|---|
| Cosine metric | 0.8872 |
| Dice metric | 0.8808 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51896
Similarity: 0.6818
Similarity to MM51896
| Tanimoto metric | 0.6818 |
|---|---|
| Cosine metric | 0.8111 |
| Dice metric | 0.8108 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+261 more
