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DocumentationIdentifier: MM246002
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM246002 |
| SMILES |
CNC(C)CC(=O)C(C)C
|
| InChIKey |
IOAJEKFSEVFJDT-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
1.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142021
Similarity: 0.8019
Similarity to MM142021
| Tanimoto metric | 0.8019 |
|---|---|
| Cosine metric | 0.8955 |
| Dice metric | 0.8901 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262429
Similarity: 0.7265
Similarity to MM262429
| Tanimoto metric | 0.7265 |
|---|---|
| Cosine metric | 0.8426 |
| Dice metric | 0.8416 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328521
Similarity: 0.6693
Similarity to MM328521
| Tanimoto metric | 0.6693 |
|---|---|
| Cosine metric | 0.8019 |
| Dice metric | 0.8019 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+294 more
