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DocumentationIdentifier: MM402677
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM402677 |
| SMILES |
CCN(CC)CCOC=O
|
| InChIKey |
KBUULMSISDOTQC-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM301301
Similarity: 0.7531
Similarity to MM301301
| Tanimoto metric | 0.7531 |
|---|---|
| Cosine metric | 0.8622 |
| Dice metric | 0.8592 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM54430
Similarity: 0.7231
Similarity to MM54430
| Tanimoto metric | 0.7231 |
|---|---|
| Cosine metric | 0.8503 |
| Dice metric | 0.8393 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM66167
Similarity: 0.7077
Similarity to MM66167
| Tanimoto metric | 0.7077 |
|---|---|
| Cosine metric | 0.8412 |
| Dice metric | 0.8288 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+84 more
