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DocumentationIdentifier: MM455033
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM455033 |
| SMILES |
CCC(CC)CNC1CC1
|
| InChIKey |
AVEDMGCHOQBVAK-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
MM208917
Similarity: 0.8961
Similarity to MM208917
| Tanimoto metric | 0.8961 |
|---|---|
| Cosine metric | 0.9466 |
| Dice metric | 0.9452 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM339748
Similarity: 0.8182
Similarity to MM339748
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 143.27 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM433714
Similarity: 0.7753
Similarity to MM433714
| Tanimoto metric | 0.7753 |
|---|---|
| Cosine metric | 0.8737 |
| Dice metric | 0.8734 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+413 more
