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DocumentationIdentifier: MM87533
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM87533 |
| SMILES |
C=CC(CCC(C)N)NC
|
| InChIKey |
HWSNLFSKOIGWFL-UHFFFAOYSA-N
|
| MW [Da] |
142.25
Automatically obtained from RDkit software. |
| LogP |
0.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM88248
Similarity: 0.8125
Similarity to MM88248
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.898 |
| Dice metric | 0.8966 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM403311
Similarity: 0.8125
Similarity to MM403311
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.898 |
| Dice metric | 0.8966 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198812
Similarity: 0.8043
Similarity to MM198812
| Tanimoto metric | 0.8043 |
|---|---|
| Cosine metric | 0.8969 |
| Dice metric | 0.8916 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+698 more
