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DocumentationIdentifier: MM325597
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM325597 |
| SMILES |
CCC(CC)CC(N)CO
|
| InChIKey |
YUJNXZBEFDYXIW-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
MM141491
Similarity: 0.9241
Similarity to MM141491
| Tanimoto metric | 0.9241 |
|---|---|
| Cosine metric | 0.9613 |
| Dice metric | 0.9605 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261125
Similarity: 0.8111
Similarity to MM261125
| Tanimoto metric | 0.8111 |
|---|---|
| Cosine metric | 0.8961 |
| Dice metric | 0.8957 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261123
Similarity: 0.8022
Similarity to MM261123
| Tanimoto metric | 0.8022 |
|---|---|
| Cosine metric | 0.8908 |
| Dice metric | 0.8902 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+411 more
