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DocumentationIdentifier: MM405872
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM405872 |
| SMILES |
CCN(CC)CC=CCN
|
| InChIKey |
SKBVFTSHGKPERB-UHFFFAOYSA-N
|
| MW [Da] |
142.25
Automatically obtained from RDkit software. |
| LogP |
0.84
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM372429
Similarity: 0.8909
Similarity to MM372429
| Tanimoto metric | 0.8909 |
|---|---|
| Cosine metric | 0.9425 |
| Dice metric | 0.9423 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199486
Similarity: 0.8679
Similarity to MM199486
| Tanimoto metric | 0.8679 |
|---|---|
| Cosine metric | 0.9316 |
| Dice metric | 0.9293 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113520
Similarity: 0.7925
Similarity to MM113520
| Tanimoto metric | 0.7925 |
|---|---|
| Cosine metric | 0.8902 |
| Dice metric | 0.8842 |
| MW: | 113.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+552 more
