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DocumentationIdentifier: MM361738
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM361738 |
| SMILES |
CCC(C)C(N)CCCO
|
| InChIKey |
GQZIORQMDYCQFE-UHFFFAOYSA-N
|
| MW [Da] |
145.25
Automatically obtained from RDkit software. |
| LogP |
1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM292572
Similarity: 0.875
Similarity to MM292572
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9342 |
| Dice metric | 0.9333 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM85884
Similarity: 0.7975
Similarity to MM85884
| Tanimoto metric | 0.7975 |
|---|---|
| Cosine metric | 0.893 |
| Dice metric | 0.8873 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171728
Similarity: 0.7386
Similarity to MM171728
| Tanimoto metric | 0.7386 |
|---|---|
| Cosine metric | 0.8501 |
| Dice metric | 0.8497 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+492 more
