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DocumentationIdentifier: MM358637
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM358637 |
| SMILES |
O=C(C#CCO)NCCO
|
| InChIKey |
VHFWEMMDRDWENT-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-1.91
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157547
Similarity: 0.8632
Similarity to MM157547
| Tanimoto metric | 0.8632 |
|---|---|
| Cosine metric | 0.9291 |
| Dice metric | 0.9266 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158491
Similarity: 0.8526
Similarity to MM158491
| Tanimoto metric | 0.8526 |
|---|---|
| Cosine metric | 0.9234 |
| Dice metric | 0.9205 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358714
Similarity: 0.7664
Similarity to MM358714
| Tanimoto metric | 0.7664 |
|---|---|
| Cosine metric | 0.8677 |
| Dice metric | 0.8677 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+393 more
