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DocumentationIdentifier: MM60830
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM60830 |
| SMILES |
C=C(C)C(O)C(=C)CNC
|
| InChIKey |
MXQQCYOXOCXFMO-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
0.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM60845
Similarity: 0.7594
Similarity to MM60845
| Tanimoto metric | 0.7594 |
|---|---|
| Cosine metric | 0.8714 |
| Dice metric | 0.8632 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35728
Similarity: 0.6516
Similarity to MM35728
| Tanimoto metric | 0.6516 |
|---|---|
| Cosine metric | 0.7897 |
| Dice metric | 0.7891 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM294606
Similarity: 0.6159
Similarity to MM294606
| Tanimoto metric | 0.6159 |
|---|---|
| Cosine metric | 0.7623 |
| Dice metric | 0.7623 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+178 more
