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DocumentationIdentifier: MM311888
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM311888 |
| SMILES |
CC1C(C)C1CCNC=O
|
| InChIKey |
OAFRUSVHRSHWRE-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM445530
Similarity: 0.7593
Similarity to MM445530
| Tanimoto metric | 0.7593 |
|---|---|
| Cosine metric | 0.8636 |
| Dice metric | 0.8632 |
| MW: | 141.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM425888
Similarity: 0.735
Similarity to MM425888
| Tanimoto metric | 0.735 |
|---|---|
| Cosine metric | 0.8478 |
| Dice metric | 0.8473 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM311682
Similarity: 0.7143
Similarity to MM311682
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8369 |
| Dice metric | 0.8333 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+149 more
