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DocumentationIdentifier: MM92081
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM92081 |
| SMILES |
CC=CC(=CCCN)CN
|
| InChIKey |
IVNDCUFZCODLED-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM383686
Similarity: 0.8242
Similarity to MM383686
| Tanimoto metric | 0.8242 |
|---|---|
| Cosine metric | 0.9039 |
| Dice metric | 0.9036 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91897
Similarity: 0.8025
Similarity to MM91897
| Tanimoto metric | 0.8025 |
|---|---|
| Cosine metric | 0.8958 |
| Dice metric | 0.8904 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383684
Similarity: 0.7889
Similarity to MM383684
| Tanimoto metric | 0.7889 |
|---|---|
| Cosine metric | 0.882 |
| Dice metric | 0.882 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+596 more
