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DocumentationIdentifier: MM386719
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386719 |
| SMILES |
C=CC(CCCN)COC
|
| InChIKey |
WFZMEKFRICWXPK-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
1.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM85770
Similarity: 0.766
Similarity to MM85770
| Tanimoto metric | 0.766 |
|---|---|
| Cosine metric | 0.8752 |
| Dice metric | 0.8675 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM318646
Similarity: 0.6981
Similarity to MM318646
| Tanimoto metric | 0.6981 |
|---|---|
| Cosine metric | 0.823 |
| Dice metric | 0.8222 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386737
Similarity: 0.6727
Similarity to MM386737
| Tanimoto metric | 0.6727 |
|---|---|
| Cosine metric | 0.8045 |
| Dice metric | 0.8043 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+547 more
