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DocumentationIdentifier: MM301998
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM301998 |
| SMILES |
C=C(CCCCN)C(C)O
|
| InChIKey |
YHTRRBKRNXGBSR-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
1.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM352778
Similarity: 0.8172
Similarity to MM352778
| Tanimoto metric | 0.8172 |
|---|---|
| Cosine metric | 0.904 |
| Dice metric | 0.8994 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM353086
Similarity: 0.77
Similarity to MM353086
| Tanimoto metric | 0.77 |
|---|---|
| Cosine metric | 0.8712 |
| Dice metric | 0.8701 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350037
Similarity: 0.7672
Similarity to MM350037
| Tanimoto metric | 0.7672 |
|---|---|
| Cosine metric | 0.872 |
| Dice metric | 0.8683 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+634 more
