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DocumentationIdentifier: MM198516
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM198516 |
| SMILES |
CCC(CN)CCOC
|
| InChIKey |
KDOYXWFDZLFTML-UHFFFAOYSA-N
|
| MW [Da] |
131.22
Automatically obtained from RDkit software. |
| LogP |
1.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM385752
Similarity: 0.9155
Similarity to MM385752
| Tanimoto metric | 0.9155 |
|---|---|
| Cosine metric | 0.9568 |
| Dice metric | 0.9559 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM401978
Similarity: 0.8553
Similarity to MM401978
| Tanimoto metric | 0.8553 |
|---|---|
| Cosine metric | 0.9248 |
| Dice metric | 0.922 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM402368
Similarity: 0.8125
Similarity to MM402368
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.9014 |
| Dice metric | 0.8966 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+428 more
