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DocumentationIdentifier: MM304417
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304417 |
| SMILES |
CCCOCCCNC=O
|
| InChIKey |
PLIPIIGTMUEOGP-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM299800
Similarity: 0.7808
Similarity to MM299800
| Tanimoto metric | 0.7808 |
|---|---|
| Cosine metric | 0.8786 |
| Dice metric | 0.8769 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281993
Similarity: 0.7808
Similarity to MM281993
| Tanimoto metric | 0.7808 |
|---|---|
| Cosine metric | 0.8786 |
| Dice metric | 0.8769 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM212864
Similarity: 0.7705
Similarity to MM212864
| Tanimoto metric | 0.7705 |
|---|---|
| Cosine metric | 0.8778 |
| Dice metric | 0.8704 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+407 more
