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DocumentationIdentifier: MM126634
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM126634 |
| SMILES |
C=CCC=CCNC
|
| InChIKey |
UQUSXYJKSKORFC-UHFFFAOYSA-N
|
| MW [Da] |
111.19
Automatically obtained from RDkit software. |
| LogP |
1.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215273
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| Tanimoto metric | 0.9111 |
|---|---|
| Cosine metric | 0.9545 |
| Dice metric | 0.9535 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM452618
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| Cosine metric | 0.9545 |
| Dice metric | 0.9535 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM214802
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| Tanimoto metric | 0.8542 |
|---|---|
| Cosine metric | 0.9242 |
| Dice metric | 0.9213 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+641 more
