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DocumentationIdentifier: MM221466
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM221466 |
| SMILES |
CC(O)CC(N)C(C)(C)C
|
| InChIKey |
NJFYODLXUYDUAL-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
MM133472
Similarity: 0.8316
Similarity to MM133472
| Tanimoto metric | 0.8316 |
|---|---|
| Cosine metric | 0.9119 |
| Dice metric | 0.908 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM244606
Similarity: 0.6991
Similarity to MM244606
| Tanimoto metric | 0.6991 |
|---|---|
| Cosine metric | 0.823 |
| Dice metric | 0.8229 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268256
Similarity: 0.6957
Similarity to MM268256
| Tanimoto metric | 0.6957 |
|---|---|
| Cosine metric | 0.8208 |
| Dice metric | 0.8205 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+341 more
