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DocumentationIdentifier: MM78080
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM78080 |
| SMILES |
CNC(C)CC(=O)COC
|
| InChIKey |
NMQSEJHRKCPUBL-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM261927
Similarity: 0.6809
Similarity to MM261927
| Tanimoto metric | 0.6809 |
|---|---|
| Cosine metric | 0.8103 |
| Dice metric | 0.8101 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328523
Similarity: 0.6575
Similarity to MM328523
| Tanimoto metric | 0.6575 |
|---|---|
| Cosine metric | 0.7934 |
| Dice metric | 0.7934 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328528
Similarity: 0.6443
Similarity to MM328528
| Tanimoto metric | 0.6443 |
|---|---|
| Cosine metric | 0.7837 |
| Dice metric | 0.7837 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+165 more
