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DocumentationIdentifier: MM292582
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM292582 |
| SMILES |
CCCC(N)C(O)CCC
|
| InChIKey |
CTDFCRIOSLTKFQ-UHFFFAOYSA-N
|
| MW [Da] |
145.25
Automatically obtained from RDkit software. |
| LogP |
1.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM361754
Similarity: 0.9101
Similarity to MM361754
| Tanimoto metric | 0.9101 |
|---|---|
| Cosine metric | 0.9532 |
| Dice metric | 0.9529 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171763
Similarity: 0.9036
Similarity to MM171763
| Tanimoto metric | 0.9036 |
|---|---|
| Cosine metric | 0.9506 |
| Dice metric | 0.9494 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171778
Similarity: 0.9036
Similarity to MM171778
| Tanimoto metric | 0.9036 |
|---|---|
| Cosine metric | 0.9506 |
| Dice metric | 0.9494 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+359 more
