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DocumentationIdentifier: MM343514
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM343514 |
| SMILES |
CCC1(CNC(C)C)CC1
|
| InChIKey |
SQIJDRDWUAEVQF-UHFFFAOYSA-N
|
| MW [Da] |
141.26
Automatically obtained from RDkit software. |
| LogP |
2.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM202805
Similarity: 0.8969
Similarity to MM202805
| Tanimoto metric | 0.8969 |
|---|---|
| Cosine metric | 0.9471 |
| Dice metric | 0.9457 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM459735
Similarity: 0.8899
Similarity to MM459735
| Tanimoto metric | 0.8899 |
|---|---|
| Cosine metric | 0.9433 |
| Dice metric | 0.9417 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM425123
Similarity: 0.8614
Similarity to MM425123
| Tanimoto metric | 0.8614 |
|---|---|
| Cosine metric | 0.926 |
| Dice metric | 0.9255 |
| MW: | 141.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+379 more
