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DocumentationIdentifier: MM40777
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM40777 |
| SMILES |
C=CCCC(O)C(N)CF
|
| InChIKey |
AXDPZDCEVKFJMW-UHFFFAOYSA-N
|
| MW [Da] |
147.19
Automatically obtained from RDkit software. |
| LogP |
0.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40804
Similarity: 0.8083
Similarity to MM40804
| Tanimoto metric | 0.8083 |
|---|---|
| Cosine metric | 0.8991 |
| Dice metric | 0.894 |
| MW: | 135.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM362342
Similarity: 0.669
Similarity to MM362342
| Tanimoto metric | 0.669 |
|---|---|
| Cosine metric | 0.8017 |
| Dice metric | 0.8017 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268459
Similarity: 0.6667
Similarity to MM268459
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8036 |
| Dice metric | 0.8 |
| MW: | 147.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+301 more
