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DocumentationIdentifier: MM224198
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM224198 |
| SMILES |
C=CC(CF)NC(C)(C)C
|
| InChIKey |
HOLCTTCPYQCURA-UHFFFAOYSA-N
|
| MW [Da] |
145.22
Automatically obtained from RDkit software. |
| LogP |
1.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM149765
Similarity: 0.8313
Similarity to MM149765
| Tanimoto metric | 0.8313 |
|---|---|
| Cosine metric | 0.9118 |
| Dice metric | 0.9079 |
| MW: | 131.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM226396
Similarity: 0.7789
Similarity to MM226396
| Tanimoto metric | 0.7789 |
|---|---|
| Cosine metric | 0.8759 |
| Dice metric | 0.8757 |
| MW: | 145.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130028
Similarity: 0.6627
Similarity to MM130028
| Tanimoto metric | 0.6627 |
|---|---|
| Cosine metric | 0.814 |
| Dice metric | 0.7971 |
| MW: | 133.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+497 more
