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DocumentationIdentifier: MM376703
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376703 |
| SMILES |
CCNC(C#N)C(O)C#N
|
| InChIKey |
SXMFMDSHFFDNST-UHFFFAOYSA-N
|
| MW [Da] |
139.16
Automatically obtained from RDkit software. |
| LogP |
-0.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM53246
Similarity: 0.7941
Similarity to MM53246
| Tanimoto metric | 0.7941 |
|---|---|
| Cosine metric | 0.8911 |
| Dice metric | 0.8852 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46809
Similarity: 0.7721
Similarity to MM46809
| Tanimoto metric | 0.7721 |
|---|---|
| Cosine metric | 0.8787 |
| Dice metric | 0.8714 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47919
Similarity: 0.6114
Similarity to MM47919
| Tanimoto metric | 0.6114 |
|---|---|
| Cosine metric | 0.7593 |
| Dice metric | 0.7589 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+70 more
