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DocumentationIdentifier: MM385673
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM385673 |
| SMILES |
CCC(=CCCN)OC=O
|
| InChIKey |
FSPPHUKOJNKANR-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM159570
Similarity: 0.7545
Similarity to MM159570
| Tanimoto metric | 0.7545 |
|---|---|
| Cosine metric | 0.8686 |
| Dice metric | 0.8601 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253484
Similarity: 0.6541
Similarity to MM253484
| Tanimoto metric | 0.6541 |
|---|---|
| Cosine metric | 0.7909 |
| Dice metric | 0.7909 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304356
Similarity: 0.6397
Similarity to MM304356
| Tanimoto metric | 0.6397 |
|---|---|
| Cosine metric | 0.7803 |
| Dice metric | 0.7803 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+273 more
