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DocumentationIdentifier: MM251870
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM251870 |
| SMILES |
CC(=N)NCC(C)=CCN
|
| InChIKey |
PEUOUDWJXKECPQ-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM145309
Similarity: 0.8586
Similarity to MM145309
| Tanimoto metric | 0.8586 |
|---|---|
| Cosine metric | 0.9266 |
| Dice metric | 0.9239 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM260869
Similarity: 0.7333
Similarity to MM260869
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8494 |
| Dice metric | 0.8462 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM320561
Similarity: 0.7288
Similarity to MM320561
| Tanimoto metric | 0.7288 |
|---|---|
| Cosine metric | 0.8435 |
| Dice metric | 0.8431 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+319 more
