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DocumentationIdentifier: MM82048
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM82048 |
| SMILES |
CCC(COCCN)NC
|
| InChIKey |
RYZIFLCTDSJJEG-UHFFFAOYSA-N
|
| MW [Da] |
146.23
Automatically obtained from RDkit software. |
| LogP |
-0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198559
Similarity: 0.8989
Similarity to MM198559
| Tanimoto metric | 0.8989 |
|---|---|
| Cosine metric | 0.9481 |
| Dice metric | 0.9467 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM402157
Similarity: 0.7843
Similarity to MM402157
| Tanimoto metric | 0.7843 |
|---|---|
| Cosine metric | 0.8793 |
| Dice metric | 0.8791 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM81785
Similarity: 0.7664
Similarity to MM81785
| Tanimoto metric | 0.7664 |
|---|---|
| Cosine metric | 0.8692 |
| Dice metric | 0.8677 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+351 more
