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DocumentationIdentifier: MM195424
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM195424 |
| SMILES |
CN1CC1CNCC#N
|
| InChIKey |
YURMSTYQAYWOFI-UHFFFAOYSA-N
|
| MW [Da] |
125.18
Automatically obtained from RDkit software. |
| LogP |
-0.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM124721
Similarity: 0.8218
Similarity to MM124721
| Tanimoto metric | 0.8218 |
|---|---|
| Cosine metric | 0.9065 |
| Dice metric | 0.9022 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM195364
Similarity: 0.7685
Similarity to MM195364
| Tanimoto metric | 0.7685 |
|---|---|
| Cosine metric | 0.8706 |
| Dice metric | 0.8691 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM216560
Similarity: 0.7034
Similarity to MM216560
| Tanimoto metric | 0.7034 |
|---|---|
| Cosine metric | 0.8259 |
| Dice metric | 0.8259 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+172 more
