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DocumentationIdentifier: MM317078
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM317078 |
| SMILES |
C=CC(=N)NCC(C)CN
|
| InChIKey |
KKQQWNXRNSZSFE-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144737
Similarity: 0.7979
Similarity to MM144737
| Tanimoto metric | 0.7979 |
|---|---|
| Cosine metric | 0.8932 |
| Dice metric | 0.8876 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM365593
Similarity: 0.72
Similarity to MM365593
| Tanimoto metric | 0.72 |
|---|---|
| Cosine metric | 0.8409 |
| Dice metric | 0.8372 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250652
Similarity: 0.6863
Similarity to MM250652
| Tanimoto metric | 0.6863 |
|---|---|
| Cosine metric | 0.8175 |
| Dice metric | 0.814 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+471 more
