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DocumentationIdentifier: MM340672
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM340672 |
| SMILES |
CCC(CC)NCC(N)=O
|
| InChIKey |
HQTAORYYPFVQRG-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
0.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52977
Similarity: 0.9024
Similarity to MM52977
| Tanimoto metric | 0.9024 |
|---|---|
| Cosine metric | 0.95 |
| Dice metric | 0.9487 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250691
Similarity: 0.7755
Similarity to MM250691
| Tanimoto metric | 0.7755 |
|---|---|
| Cosine metric | 0.875 |
| Dice metric | 0.8736 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58556
Similarity: 0.74
Similarity to MM58556
| Tanimoto metric | 0.74 |
|---|---|
| Cosine metric | 0.852 |
| Dice metric | 0.8506 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+239 more
