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DocumentationIdentifier: MM365389
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM365389 |
| SMILES |
C#CCNCCC(=O)CF
|
| InChIKey |
JVTPXNIBJNCHPF-UHFFFAOYSA-N
|
| MW [Da] |
143.16
Automatically obtained from RDkit software. |
| LogP |
0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM364499
Similarity: 0.7957
Similarity to MM364499
| Tanimoto metric | 0.7957 |
|---|---|
| Cosine metric | 0.8882 |
| Dice metric | 0.8862 |
| MW: | 147.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM152874
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| Tanimoto metric | 0.7416 |
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| Cosine metric | 0.8611 |
| Dice metric | 0.8516 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM258127
Similarity: 0.74
Similarity to MM258127
| Tanimoto metric | 0.74 |
|---|---|
| Cosine metric | 0.8508 |
| Dice metric | 0.8506 |
| MW: | 147.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+152 more
