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DocumentationIdentifier: MM223672
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM223672 |
| SMILES |
CCC(N)C(O)C(F)(F)F
|
| InChIKey |
GWSYPURAMKENMH-UHFFFAOYSA-N
|
| MW [Da] |
157.14
Automatically obtained from RDkit software. |
| LogP |
0.65
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM159943
Similarity: 0.825
Similarity to MM159943
| Tanimoto metric | 0.825 |
|---|---|
| Cosine metric | 0.9083 |
| Dice metric | 0.9041 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM296517
Similarity: 0.6993
Similarity to MM296517
| Tanimoto metric | 0.6993 |
|---|---|
| Cosine metric | 0.8231 |
| Dice metric | 0.823 |
| MW: | 155.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223678
Similarity: 0.6291
Similarity to MM223678
| Tanimoto metric | 0.6291 |
|---|---|
| Cosine metric | 0.7726 |
| Dice metric | 0.7724 |
| MW: | 157.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+253 more
