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DocumentationIdentifier: MM79767
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM79767 |
| SMILES |
C=CC(C=CC(C)N)NC
|
| InChIKey |
IFIIBMCTWUFCFL-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
0.66
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM79758
Similarity: 0.9405
Similarity to MM79758
| Tanimoto metric | 0.9405 |
|---|---|
| Cosine metric | 0.9693 |
| Dice metric | 0.9693 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM424622
Similarity: 0.8023
Similarity to MM424622
| Tanimoto metric | 0.8023 |
|---|---|
| Cosine metric | 0.8918 |
| Dice metric | 0.8903 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76628
Similarity: 0.7907
Similarity to MM76628
| Tanimoto metric | 0.7907 |
|---|---|
| Cosine metric | 0.885 |
| Dice metric | 0.8831 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+483 more
