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DocumentationIdentifier: MM306521
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM306521 |
| SMILES |
CCCNC(=O)CCC
|
| InChIKey |
TUDFZSGUEDLTJC-UHFFFAOYSA-N
|
| MW [Da] |
129.2
Automatically obtained from RDkit software. |
| LogP |
1.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM308783
Similarity: 0.9429
Similarity to MM308783
| Tanimoto metric | 0.9429 |
|---|---|
| Cosine metric | 0.971 |
| Dice metric | 0.9706 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306097
Similarity: 0.9091
Similarity to MM306097
| Tanimoto metric | 0.9091 |
|---|---|
| Cosine metric | 0.9535 |
| Dice metric | 0.9524 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306525
Similarity: 0.8571
Similarity to MM306525
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9232 |
| Dice metric | 0.9231 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+688 more
