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DocumentationIdentifier: MM318768
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM318768 |
| SMILES |
CCC(=O)CNC(=O)CO
|
| InChIKey |
NHIFOWWDAUJCPD-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144946
Similarity: 0.7748
Similarity to MM144946
| Tanimoto metric | 0.7748 |
|---|---|
| Cosine metric | 0.8802 |
| Dice metric | 0.8731 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43854
Similarity: 0.7477
Similarity to MM43854
| Tanimoto metric | 0.7477 |
|---|---|
| Cosine metric | 0.8647 |
| Dice metric | 0.8557 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM78722
Similarity: 0.6774
Similarity to MM78722
| Tanimoto metric | 0.6774 |
|---|---|
| Cosine metric | 0.8095 |
| Dice metric | 0.8077 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+75 more
