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DocumentationIdentifier: MM363329
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM363329 |
| SMILES |
C=CCCN=CN(C)CC
|
| InChIKey |
LKNGHDNKCDRDTP-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169463
Similarity: 0.8219
Similarity to MM169463
| Tanimoto metric | 0.8219 |
|---|---|
| Cosine metric | 0.9066 |
| Dice metric | 0.9023 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM154084
Similarity: 0.7808
Similarity to MM154084
| Tanimoto metric | 0.7808 |
|---|---|
| Cosine metric | 0.8836 |
| Dice metric | 0.8769 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM423130
Similarity: 0.7407
Similarity to MM423130
| Tanimoto metric | 0.7407 |
|---|---|
| Cosine metric | 0.8516 |
| Dice metric | 0.8511 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+258 more
