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DocumentationIdentifier: MM325606
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM325606 |
| SMILES |
CCC(CN)CC(N)CO
|
| InChIKey |
XWHJCDQLSMGGLM-UHFFFAOYSA-N
|
| MW [Da] |
146.23
Automatically obtained from RDkit software. |
| LogP |
-0.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM96239
Similarity: 0.8411
Similarity to MM96239
| Tanimoto metric | 0.8411 |
|---|---|
| Cosine metric | 0.914 |
| Dice metric | 0.9137 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141495
Similarity: 0.7708
Similarity to MM141495
| Tanimoto metric | 0.7708 |
|---|---|
| Cosine metric | 0.878 |
| Dice metric | 0.8706 |
| MW: | 132.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141491
Similarity: 0.7604
Similarity to MM141491
| Tanimoto metric | 0.7604 |
|---|---|
| Cosine metric | 0.872 |
| Dice metric | 0.8639 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+519 more
