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DocumentationIdentifier: MM92500
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM92500 |
| SMILES |
CNC(C)CC(C)NC=O
|
| InChIKey |
VREFMOOWSRHYGF-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM165718
Similarity: 0.7722
Similarity to MM165718
| Tanimoto metric | 0.7722 |
|---|---|
| Cosine metric | 0.8787 |
| Dice metric | 0.8714 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272011
Similarity: 0.7449
Similarity to MM272011
| Tanimoto metric | 0.7449 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8538 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261393
Similarity: 0.7374
Similarity to MM261393
| Tanimoto metric | 0.7374 |
|---|---|
| Cosine metric | 0.8517 |
| Dice metric | 0.8488 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+596 more
