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DocumentationIdentifier: MM355864
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM355864 |
| SMILES |
CCNCC(=O)NCC#N
|
| InChIKey |
KZQWNBSMDCAUGP-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156291
Similarity: 0.925
Similarity to MM156291
| Tanimoto metric | 0.925 |
|---|---|
| Cosine metric | 0.9618 |
| Dice metric | 0.961 |
| MW: | 127.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM258503
Similarity: 0.881
Similarity to MM258503
| Tanimoto metric | 0.881 |
|---|---|
| Cosine metric | 0.9368 |
| Dice metric | 0.9367 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83286
Similarity: 0.8043
Similarity to MM83286
| Tanimoto metric | 0.8043 |
|---|---|
| Cosine metric | 0.8921 |
| Dice metric | 0.8916 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+160 more
