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DocumentationIdentifier: MM210412
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM210412 |
| SMILES |
NCC1(OC2CC2)CC1
|
| InChIKey |
YZOUZLGHRJJEMP-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
0.66
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM348021
Similarity: 0.9841
Similarity to MM348021
| Tanimoto metric | 0.9841 |
|---|---|
| Cosine metric | 0.992 |
| Dice metric | 0.992 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM340728
Similarity: 0.9839
Similarity to MM340728
| Tanimoto metric | 0.9839 |
|---|---|
| Cosine metric | 0.9919 |
| Dice metric | 0.9919 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM202845
Similarity: 0.8952
Similarity to MM202845
| Tanimoto metric | 0.8952 |
|---|---|
| Cosine metric | 0.9461 |
| Dice metric | 0.9447 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+118 more
