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DocumentationIdentifier: MM85736
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM85736 |
| SMILES |
C=CC(C)CC(CN)CN
|
| InChIKey |
MFHZBSGQNATPIA-UHFFFAOYSA-N
|
| MW [Da] |
142.25
Automatically obtained from RDkit software. |
| LogP |
0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141613
Similarity: 0.8788
Similarity to MM141613
| Tanimoto metric | 0.8788 |
|---|---|
| Cosine metric | 0.9374 |
| Dice metric | 0.9355 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM85605
Similarity: 0.7879
Similarity to MM85605
| Tanimoto metric | 0.7879 |
|---|---|
| Cosine metric | 0.8876 |
| Dice metric | 0.8814 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM327668
Similarity: 0.7838
Similarity to MM327668
| Tanimoto metric | 0.7838 |
|---|---|
| Cosine metric | 0.8788 |
| Dice metric | 0.8788 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+464 more
