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DocumentationIdentifier: MM434530
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM434530 |
| SMILES |
C#CCN1CC1C(C)CC
|
| InChIKey |
YNBDFQWNPFYLLD-UHFFFAOYSA-N
|
| MW [Da] |
137.23
Automatically obtained from RDkit software. |
| LogP |
1.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM196066
Similarity: 0.7531
Similarity to MM196066
| Tanimoto metric | 0.7531 |
|---|---|
| Cosine metric | 0.8678 |
| Dice metric | 0.8592 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM434261
Similarity: 0.7143
Similarity to MM434261
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8333 |
| Dice metric | 0.8333 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM367820
Similarity: 0.7053
Similarity to MM367820
| Tanimoto metric | 0.7053 |
|---|---|
| Cosine metric | 0.8272 |
| Dice metric | 0.8272 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+304 more
