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DocumentationIdentifier: MM159940
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM159940 |
| SMILES |
CC(N)C(O)C(N)CN
|
| InChIKey |
WBDWMTZPSQANDC-UHFFFAOYSA-N
|
| MW [Da] |
133.2
Automatically obtained from RDkit software. |
| LogP |
-2.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM348204
Similarity: 0.9375
Similarity to MM348204
| Tanimoto metric | 0.9375 |
|---|---|
| Cosine metric | 0.9682 |
| Dice metric | 0.9677 |
| MW: | 148.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -3.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348200
Similarity: 0.7759
Similarity to MM348200
| Tanimoto metric | 0.7759 |
|---|---|
| Cosine metric | 0.8808 |
| Dice metric | 0.8738 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171780
Similarity: 0.7708
Similarity to MM171780
| Tanimoto metric | 0.7708 |
|---|---|
| Cosine metric | 0.8721 |
| Dice metric | 0.8706 |
| MW: | 133.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+324 more
