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DocumentationIdentifier: MM113738
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM113738 |
| SMILES |
C=C(C#N)OC=CC
|
| InChIKey |
KRACBLKRYOLGNS-UHFFFAOYSA-N
|
| MW [Da] |
109.13
Automatically obtained from RDkit software. |
| LogP |
1.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM168848
Similarity: 0.8551
Similarity to MM168848
| Tanimoto metric | 0.8551 |
|---|---|
| Cosine metric | 0.9247 |
| Dice metric | 0.9219 |
| MW: | 120.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168846
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Similarity to MM168846
| Tanimoto metric | 0.8194 |
|---|---|
| Cosine metric | 0.9052 |
| Dice metric | 0.9008 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.74 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM49252
Similarity: 0.8082
Similarity to MM49252
| Tanimoto metric | 0.8082 |
|---|---|
| Cosine metric | 0.899 |
| Dice metric | 0.8939 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+478 more
