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DocumentationIdentifier: MM171868
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171868 |
| SMILES |
COC(C)C(N)CCF
|
| InChIKey |
JEMXALZQECHTLP-UHFFFAOYSA-N
|
| MW [Da] |
135.18
Automatically obtained from RDkit software. |
| LogP |
0.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM292675
Similarity: 0.7795
Similarity to MM292675
| Tanimoto metric | 0.7795 |
|---|---|
| Cosine metric | 0.8829 |
| Dice metric | 0.8761 |
| MW: | 147.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75173
Similarity: 0.7071
Similarity to MM75173
| Tanimoto metric | 0.7071 |
|---|---|
| Cosine metric | 0.8409 |
| Dice metric | 0.8284 |
| MW: | 117.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108042
Similarity: 0.6869
Similarity to MM108042
| Tanimoto metric | 0.6869 |
|---|---|
| Cosine metric | 0.8288 |
| Dice metric | 0.8144 |
| MW: | 121.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+503 more
