Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM171909
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171909 |
| SMILES |
CCC(C)C(C)CC#N
|
| InChIKey |
USMDOQQDJSNYNO-UHFFFAOYSA-N
|
| MW [Da] |
125.22
Automatically obtained from RDkit software. |
| LogP |
2.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM71704
Similarity: 0.96
Similarity to MM71704
| Tanimoto metric | 0.96 |
|---|---|
| Cosine metric | 0.9798 |
| Dice metric | 0.9796 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 2.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292629
Similarity: 0.8276
Similarity to MM292629
| Tanimoto metric | 0.8276 |
|---|---|
| Cosine metric | 0.9097 |
| Dice metric | 0.9057 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155929
Similarity: 0.8
Similarity to MM155929
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8909 |
| Dice metric | 0.8889 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+319 more
