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DocumentationIdentifier: MM78586
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM78586 |
| SMILES |
C=C(C)C(N)C=CCNC
|
| InChIKey |
HIPOISIBDIKAJM-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
0.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM76456
Similarity: 0.8333
Similarity to MM76456
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75696
Similarity: 0.7458
Similarity to MM75696
| Tanimoto metric | 0.7458 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8544 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM80987
Similarity: 0.708
Similarity to MM80987
| Tanimoto metric | 0.708 |
|---|---|
| Cosine metric | 0.829 |
| Dice metric | 0.829 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+406 more
