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DocumentationIdentifier: MM374059
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM374059 |
| SMILES |
C=C(C#N)OC=CCCO
|
| InChIKey |
GKJWJAFZEVFRKA-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168789
Similarity: 0.8588
Similarity to MM168789
| Tanimoto metric | 0.8588 |
|---|---|
| Cosine metric | 0.9267 |
| Dice metric | 0.9241 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM374220
Similarity: 0.7872
Similarity to MM374220
| Tanimoto metric | 0.7872 |
|---|---|
| Cosine metric | 0.881 |
| Dice metric | 0.881 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM374224
Similarity: 0.7684
Similarity to MM374224
| Tanimoto metric | 0.7684 |
|---|---|
| Cosine metric | 0.8691 |
| Dice metric | 0.869 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+213 more
