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DocumentationIdentifier: MM229001
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229001 |
| SMILES |
CCC(O)(CC)CN(C)C
|
| InChIKey |
VMCSODPPPQQBSY-UHFFFAOYSA-N
|
| MW [Da] |
145.25
Automatically obtained from RDkit software. |
| LogP |
1.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM82949
Similarity: 0.802
Similarity to MM82949
| Tanimoto metric | 0.802 |
|---|---|
| Cosine metric | 0.8955 |
| Dice metric | 0.8901 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM221700
Similarity: 0.7236
Similarity to MM221700
| Tanimoto metric | 0.7236 |
|---|---|
| Cosine metric | 0.8406 |
| Dice metric | 0.8396 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM307813
Similarity: 0.6807
Similarity to MM307813
| Tanimoto metric | 0.6807 |
|---|---|
| Cosine metric | 0.81 |
| Dice metric | 0.81 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+414 more
