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DocumentationIdentifier: MM448172
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM448172 |
| SMILES |
CCNC=NCCNCC
|
| InChIKey |
MWSMFLAKLLHINR-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
0.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM289191
Similarity: 0.8033
Similarity to MM289191
| Tanimoto metric | 0.8033 |
|---|---|
| Cosine metric | 0.8922 |
| Dice metric | 0.8909 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM125774
Similarity: 0.7885
Similarity to MM125774
| Tanimoto metric | 0.7885 |
|---|---|
| Cosine metric | 0.888 |
| Dice metric | 0.8817 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM214725
Similarity: 0.7778
Similarity to MM214725
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8781 |
| Dice metric | 0.875 |
| MW: | 130.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+312 more
