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DocumentationIdentifier: MM135085
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM135085 |
| SMILES |
CCNC(C)CC(C)O
|
| InChIKey |
YSXSMGFERZXWNB-UHFFFAOYSA-N
|
| MW [Da] |
131.22
Automatically obtained from RDkit software. |
| LogP |
0.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM236469
Similarity: 0.9318
Similarity to MM236469
| Tanimoto metric | 0.9318 |
|---|---|
| Cosine metric | 0.9653 |
| Dice metric | 0.9647 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223085
Similarity: 0.9111
Similarity to MM223085
| Tanimoto metric | 0.9111 |
|---|---|
| Cosine metric | 0.9545 |
| Dice metric | 0.9535 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM236522
Similarity: 0.8283
Similarity to MM236522
| Tanimoto metric | 0.8283 |
|---|---|
| Cosine metric | 0.9101 |
| Dice metric | 0.9061 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+598 more
