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DocumentationIdentifier: MM307625
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM307625 |
| SMILES |
C=CC=C(CC)CNC=O
|
| InChIKey |
WNPSYZFEEAICHF-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.25
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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MM309687
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Similarity to MM309687
| Tanimoto metric | 0.8019 |
|---|---|
| Cosine metric | 0.8955 |
| Dice metric | 0.8901 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305650
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| Tanimoto metric | 0.6981 |
|---|---|
| Cosine metric | 0.8355 |
| Dice metric | 0.8222 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM381241
Similarity: 0.6855
Similarity to MM381241
| Tanimoto metric | 0.6855 |
|---|---|
| Cosine metric | 0.8135 |
| Dice metric | 0.8134 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+206 more
