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DocumentationIdentifier: MM329445
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM329445 |
| SMILES |
CCC(C#N)OC(=O)CF
|
| InChIKey |
PTCYCIGJIODRIX-UHFFFAOYSA-N
|
| MW [Da] |
145.13
Automatically obtained from RDkit software. |
| LogP |
0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142079
Similarity: 0.7008
Similarity to MM142079
| Tanimoto metric | 0.7008 |
|---|---|
| Cosine metric | 0.8371 |
| Dice metric | 0.8241 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM330336
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| Tanimoto metric | 0.6642 |
|---|---|
| Cosine metric | 0.8035 |
| Dice metric | 0.7982 |
| MW: | 142.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM328759
Similarity: 0.6544
Similarity to MM328759
| Tanimoto metric | 0.6544 |
|---|---|
| Cosine metric | 0.7978 |
| Dice metric | 0.7911 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+127 more
