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DocumentationIdentifier: MM223495
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM223495 |
| SMILES |
CC(=N)NC(C)=CC(C)C
|
| InChIKey |
PJJRPBYCGUTDEI-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM136050
Similarity: 0.8435
Similarity to MM136050
| Tanimoto metric | 0.8435 |
|---|---|
| Cosine metric | 0.9184 |
| Dice metric | 0.9151 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237986
Similarity: 0.7405
Similarity to MM237986
| Tanimoto metric | 0.7405 |
|---|---|
| Cosine metric | 0.8509 |
| Dice metric | 0.8509 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237987
Similarity: 0.708
Similarity to MM237987
| Tanimoto metric | 0.708 |
|---|---|
| Cosine metric | 0.8292 |
| Dice metric | 0.8291 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+511 more
