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DocumentationIdentifier: MM420284
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM420284 |
| SMILES |
CCC(C#N)C(F)=COC
|
| InChIKey |
NZZLNLCBHAQGAR-UHFFFAOYSA-N
|
| MW [Da] |
143.16
Automatically obtained from RDkit software. |
| LogP |
1.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM360378
Similarity: 0.6471
Similarity to MM360378
| Tanimoto metric | 0.6471 |
|---|---|
| Cosine metric | 0.7877 |
| Dice metric | 0.7857 |
| MW: | 143.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242858
Similarity: 0.6076
Similarity to MM242858
| Tanimoto metric | 0.6076 |
|---|---|
| Cosine metric | 0.7574 |
| Dice metric | 0.7559 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM200626
Similarity: 0.5556
Similarity to MM200626
| Tanimoto metric | 0.5556 |
|---|---|
| Cosine metric | 0.7454 |
| Dice metric | 0.7143 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+243 more
