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DocumentationIdentifier: MM81769
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM81769 |
| SMILES |
CCNCC(C)OCCN
|
| InChIKey |
NINRTTYSKUVCPA-UHFFFAOYSA-N
|
| MW [Da] |
146.23
Automatically obtained from RDkit software. |
| LogP |
-0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM291204
Similarity: 0.8205
Similarity to MM291204
| Tanimoto metric | 0.8205 |
|---|---|
| Cosine metric | 0.9037 |
| Dice metric | 0.9014 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291186
Similarity: 0.8095
Similarity to MM291186
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.8947 |
| Dice metric | 0.8947 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291187
Similarity: 0.8095
Similarity to MM291187
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.8947 |
| Dice metric | 0.8947 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+447 more
