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DocumentationIdentifier: MM236522
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM236522 |
| SMILES |
C=CCNC(C)CC(C)O
|
| InChIKey |
XVYGMORNMFJWTH-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135085
Similarity: 0.8283
Similarity to MM135085
| Tanimoto metric | 0.8283 |
|---|---|
| Cosine metric | 0.9101 |
| Dice metric | 0.9061 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM236469
Similarity: 0.7981
Similarity to MM236469
| Tanimoto metric | 0.7981 |
|---|---|
| Cosine metric | 0.8892 |
| Dice metric | 0.8877 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223085
Similarity: 0.7664
Similarity to MM223085
| Tanimoto metric | 0.7664 |
|---|---|
| Cosine metric | 0.8687 |
| Dice metric | 0.8677 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+395 more
