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DocumentationIdentifier: MM49817
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM49817 |
| SMILES |
CC(=NCCO)NCC#N
|
| InChIKey |
YTKIOCGSAIBCLP-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM69486
Similarity: 0.7979
Similarity to MM69486
| Tanimoto metric | 0.7979 |
|---|---|
| Cosine metric | 0.8932 |
| Dice metric | 0.8876 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360127
Similarity: 0.7255
Similarity to MM360127
| Tanimoto metric | 0.7255 |
|---|---|
| Cosine metric | 0.8429 |
| Dice metric | 0.8409 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360242
Similarity: 0.6637
Similarity to MM360242
| Tanimoto metric | 0.6637 |
|---|---|
| Cosine metric | 0.7979 |
| Dice metric | 0.7979 |
| MW: | 143.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+246 more
