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DocumentationIdentifier: MM303109
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM303109 |
| SMILES |
CN=CNCC(N)C(C)O
|
| InChIKey |
LTSWTSXJXOJOMC-UHFFFAOYSA-N
|
| MW [Da] |
145.21
Automatically obtained from RDkit software. |
| LogP |
-1.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162039
Similarity: 0.8545
Similarity to MM162039
| Tanimoto metric | 0.8545 |
|---|---|
| Cosine metric | 0.9244 |
| Dice metric | 0.9216 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM362119
Similarity: 0.7015
Similarity to MM362119
| Tanimoto metric | 0.7015 |
|---|---|
| Cosine metric | 0.8251 |
| Dice metric | 0.8246 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167154
Similarity: 0.6727
Similarity to MM167154
| Tanimoto metric | 0.6727 |
|---|---|
| Cosine metric | 0.8202 |
| Dice metric | 0.8043 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+148 more
