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DocumentationIdentifier: MM251784
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM251784 |
| SMILES |
CCN=C(C)NCC(C)N
|
| InChIKey |
BFTIQFJYYJRGLL-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM360125
Similarity: 0.7339
Similarity to MM360125
| Tanimoto metric | 0.7339 |
|---|---|
| Cosine metric | 0.8486 |
| Dice metric | 0.8466 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM320446
Similarity: 0.685
Similarity to MM320446
| Tanimoto metric | 0.685 |
|---|---|
| Cosine metric | 0.8144 |
| Dice metric | 0.8131 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM320279
Similarity: 0.6667
Similarity to MM320279
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8015 |
| Dice metric | 0.8 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+431 more
