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DocumentationIdentifier: MM268233
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM268233 |
| SMILES |
CC(O)CC(C)C(C)CN
|
| InChIKey |
UVHSNRBTONGSHN-UHFFFAOYSA-N
|
| MW [Da] |
145.25
Automatically obtained from RDkit software. |
| LogP |
0.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143973
Similarity: 0.7253
Similarity to MM143973
| Tanimoto metric | 0.7253 |
|---|---|
| Cosine metric | 0.8516 |
| Dice metric | 0.8408 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261130
Similarity: 0.699
Similarity to MM261130
| Tanimoto metric | 0.699 |
|---|---|
| Cosine metric | 0.8235 |
| Dice metric | 0.8229 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM221077
Similarity: 0.6729
Similarity to MM221077
| Tanimoto metric | 0.6729 |
|---|---|
| Cosine metric | 0.8046 |
| Dice metric | 0.8045 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+423 more
