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DocumentationIdentifier: MM72701
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM72701 |
| SMILES |
C#CC(C)NCCNCC
|
| InChIKey |
GAXFAIQJSAWVFM-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
0.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM166267
Similarity: 0.9661
Similarity to MM166267
| Tanimoto metric | 0.9661 |
|---|---|
| Cosine metric | 0.9829 |
| Dice metric | 0.9828 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM404520
Similarity: 0.8636
Similarity to MM404520
| Tanimoto metric | 0.8636 |
|---|---|
| Cosine metric | 0.9276 |
| Dice metric | 0.9268 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM74210
Similarity: 0.8305
Similarity to MM74210
| Tanimoto metric | 0.8305 |
|---|---|
| Cosine metric | 0.9113 |
| Dice metric | 0.9074 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+554 more
