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DocumentationIdentifier: MM202846
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM202846 |
| SMILES |
NCCOC1(CN)CC1
|
| InChIKey |
GBGHYIQCHUUCIS-UHFFFAOYSA-N
|
| MW [Da] |
130.19
Automatically obtained from RDkit software. |
| LogP |
-0.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM340730
Similarity: 0.9098
Similarity to MM340730
| Tanimoto metric | 0.9098 |
|---|---|
| Cosine metric | 0.9539 |
| Dice metric | 0.9528 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM117456
Similarity: 0.8739
Similarity to MM117456
| Tanimoto metric | 0.8739 |
|---|---|
| Cosine metric | 0.9348 |
| Dice metric | 0.9327 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM343585
Similarity: 0.8538
Similarity to MM343585
| Tanimoto metric | 0.8538 |
|---|---|
| Cosine metric | 0.924 |
| Dice metric | 0.9212 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+449 more
