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DocumentationIdentifier: MM88232
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM88232 |
| SMILES |
C=C(CCNC)C(C)CN
|
| InChIKey |
DESRRMAXVDGRFH-UHFFFAOYSA-N
|
| MW [Da] |
142.25
Automatically obtained from RDkit software. |
| LogP |
0.75
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM89059
Similarity: 0.8763
Similarity to MM89059
| Tanimoto metric | 0.8763 |
|---|---|
| Cosine metric | 0.935 |
| Dice metric | 0.9341 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM96195
Similarity: 0.7816
Similarity to MM96195
| Tanimoto metric | 0.7816 |
|---|---|
| Cosine metric | 0.8841 |
| Dice metric | 0.8774 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162387
Similarity: 0.7816
Similarity to MM162387
| Tanimoto metric | 0.7816 |
|---|---|
| Cosine metric | 0.8841 |
| Dice metric | 0.8774 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+582 more
