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DocumentationIdentifier: MM362342
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM362342 |
| SMILES |
C#CCCC(O)C(N)CF
|
| InChIKey |
ODTCCICDJZOXLK-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
0.06
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: 0.7951
Similarity to MM40804
| Tanimoto metric | 0.7951 |
|---|---|
| Cosine metric | 0.8917 |
| Dice metric | 0.8858 |
| MW: | 135.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM40777
Similarity: 0.669
Similarity to MM40777
| Tanimoto metric | 0.669 |
|---|---|
| Cosine metric | 0.8017 |
| Dice metric | 0.8017 |
| MW: | 147.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111489
Similarity: 0.6148
Similarity to MM111489
| Tanimoto metric | 0.6148 |
|---|---|
| Cosine metric | 0.7841 |
| Dice metric | 0.7614 |
| MW: | 121.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+279 more
