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DocumentationIdentifier: MM163848
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM163848 |
| SMILES |
C=CCN=C(C)N(C)C
|
| InChIKey |
VVNLJRZVWQNZMG-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
1.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM108815
Similarity: 0.7595
Similarity to MM108815
| Tanimoto metric | 0.7595 |
|---|---|
| Cosine metric | 0.8715 |
| Dice metric | 0.8633 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360415
Similarity: 0.7117
Similarity to MM360415
| Tanimoto metric | 0.7117 |
|---|---|
| Cosine metric | 0.8436 |
| Dice metric | 0.8316 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM396709
Similarity: 0.6991
Similarity to MM396709
| Tanimoto metric | 0.6991 |
|---|---|
| Cosine metric | 0.8361 |
| Dice metric | 0.8229 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+272 more
