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DocumentationIdentifier: MM379128
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM379128 |
| SMILES |
CCC(N)C(C=CF)OC
|
| InChIKey |
DLCGBHLGCWHRHO-UHFFFAOYSA-N
|
| MW [Da] |
147.19
Automatically obtained from RDkit software. |
| LogP |
1.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM294234
Similarity: 0.619
Similarity to MM294234
| Tanimoto metric | 0.619 |
|---|---|
| Cosine metric | 0.7668 |
| Dice metric | 0.7647 |
| MW: | 147.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64806
Similarity: 0.5763
Similarity to MM64806
| Tanimoto metric | 0.5763 |
|---|---|
| Cosine metric | 0.732 |
| Dice metric | 0.7312 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73006
Similarity: 0.5548
Similarity to MM73006
| Tanimoto metric | 0.5548 |
|---|---|
| Cosine metric | 0.7448 |
| Dice metric | 0.7137 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+286 more
