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DocumentationIdentifier: MM73801
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM73801 |
| SMILES |
CCC(NC)C(C)(O)CO
|
| InChIKey |
QBRWJEPOJMBMNP-UHFFFAOYSA-N
|
| MW [Da] |
147.22
Automatically obtained from RDkit software. |
| LogP |
-0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM67380
Similarity: 0.7006
Similarity to MM67380
| Tanimoto metric | 0.7006 |
|---|---|
| Cosine metric | 0.837 |
| Dice metric | 0.824 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM71699
Similarity: 0.6257
Similarity to MM71699
| Tanimoto metric | 0.6257 |
|---|---|
| Cosine metric | 0.7702 |
| Dice metric | 0.7697 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM80043
Similarity: 0.6237
Similarity to MM80043
| Tanimoto metric | 0.6237 |
|---|---|
| Cosine metric | 0.7683 |
| Dice metric | 0.7683 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+174 more
