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DocumentationIdentifier: MM355684
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM355684 |
| SMILES |
CNCCC(=O)CCNC
|
| InChIKey |
OONHFTKVQQAJKE-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
-0.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM113000
Similarity: 0.8966
Similarity to MM113000
| Tanimoto metric | 0.8966 |
|---|---|
| Cosine metric | 0.9469 |
| Dice metric | 0.9455 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166359
Similarity: 0.7536
Similarity to MM166359
| Tanimoto metric | 0.7536 |
|---|---|
| Cosine metric | 0.8602 |
| Dice metric | 0.8595 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM33999
Similarity: 0.7324
Similarity to MM33999
| Tanimoto metric | 0.7324 |
|---|---|
| Cosine metric | 0.8469 |
| Dice metric | 0.8455 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+240 more
