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DocumentationIdentifier: MM225246
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM225246 |
| SMILES |
C#CC(F)C#CC(C)(C)N
|
| InChIKey |
OOVNDEPGDMKAAM-UHFFFAOYSA-N
|
| MW [Da] |
139.17
Automatically obtained from RDkit software. |
| LogP |
0.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM145967
Similarity: 0.7647
Similarity to MM145967
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8667 |
| MW: | 125.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM228575
Similarity: 0.7073
Similarity to MM228575
| Tanimoto metric | 0.7073 |
|---|---|
| Cosine metric | 0.8289 |
| Dice metric | 0.8286 |
| MW: | 139.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM220539
Similarity: 0.7069
Similarity to MM220539
| Tanimoto metric | 0.7069 |
|---|---|
| Cosine metric | 0.8287 |
| Dice metric | 0.8283 |
| MW: | 143.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+381 more
