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DocumentationIdentifier: MM377210
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM377210 |
| SMILES |
CCC1(C)NC1C(C)=O
|
| InChIKey |
IOHPHWMWEHWVFT-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM389038
Similarity: 0.9268
Similarity to MM389038
| Tanimoto metric | 0.9268 |
|---|---|
| Cosine metric | 0.9627 |
| Dice metric | 0.962 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM421898
Similarity: 0.8297
Similarity to MM421898
| Tanimoto metric | 0.8297 |
|---|---|
| Cosine metric | 0.9109 |
| Dice metric | 0.9069 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM380127
Similarity: 0.7813
Similarity to MM380127
| Tanimoto metric | 0.7813 |
|---|---|
| Cosine metric | 0.8782 |
| Dice metric | 0.8772 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+116 more
