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DocumentationIdentifier: MM177136
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM177136 |
| SMILES |
CCCN1CC1(C)C=O
|
| InChIKey |
FIZBVVNKPXHRPT-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
0.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM271645
Similarity: 0.9408
Similarity to MM271645
| Tanimoto metric | 0.9408 |
|---|---|
| Cosine metric | 0.9699 |
| Dice metric | 0.9695 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM372993
Similarity: 0.9051
Similarity to MM372993
| Tanimoto metric | 0.9051 |
|---|---|
| Cosine metric | 0.9513 |
| Dice metric | 0.9502 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM373279
Similarity: 0.8773
Similarity to MM373279
| Tanimoto metric | 0.8773 |
|---|---|
| Cosine metric | 0.9366 |
| Dice metric | 0.9346 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+213 more
