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DocumentationIdentifier: MM376510
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376510 |
| SMILES |
CCC(O)C(C#N)CC#N
|
| InChIKey |
LJQKNRDUNYWNQD-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52185
Similarity: 0.7981
Similarity to MM52185
| Tanimoto metric | 0.7981 |
|---|---|
| Cosine metric | 0.8934 |
| Dice metric | 0.8877 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406807
Similarity: 0.7857
Similarity to MM406807
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8807 |
| Dice metric | 0.88 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94208
Similarity: 0.7143
Similarity to MM94208
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8335 |
| Dice metric | 0.8333 |
| MW: | 135.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+229 more
