Molecular Properties | |
SMILES: | CC(C(=O)Nc1cnccc1O)c1ccccc1 |
MW: | 242.11 |
Fraction sp3: | 0.14 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 62.22 |
cLogP: | 2.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1725526371 |
Enamine Extended REAL: | s_22____2991078____8989686 |
MolPort: | MolPort-047-554-041 |
Order Status | |
Ordered: | 2020-05-17 |
Synthesis Location: | enamine |
Shipped: | 2020-07-21 |
AAR-POS-d2a4d1df-1
TRY-UNI-714a760b-17
0.649
AHN-SAT-202241f6-1
0.649
BEN-DND-93268d01-16
0.574
TRY-UNI-714a760b-14
0.524
BEN-DND-03406596-11
0.483
BEN-DND-03406596-12
0.483
BEN-DND-03406596-4
0.483
BEN-DND-93268d01-1
0.483
MAR-TRE-74c6519b-57
0.423
ABI-SAT-4d06482b-1
0.418
BEN-DND-93268d01-3
0.412
SAM-UNK-2684b532-7
0.408
JAN-GHE-83b26c96-2
0.405
JAN-GHE-83b26c96-4
0.403
TRY-UNI-2eddb1ff-4
0.403
TRY-UNI-2eddb1ff-5
0.403
JAN-GHE-83b26c96-5
0.403
TRY-UNI-714a760b-18
0.403
TRY-UNI-714a760b-22
0.400
DAR-DIA-0cde14eb-11
0.397
BEN-DND-93268d01-2
0.389
SAM-UNK-2684b532-5
0.382
SAM-UNK-2684b532-6
0.382
BEN-DND-93268d01-14
0.380
TRY-UNI-2eddb1ff-3
0.375
DAR-DIA-0cde14eb-10
0.367
DAR-DIA-0cde14eb-71
0.367
ALP-POS-95b75b4d-6
0.366
DRE-WAB-eb790b7a-1
0.364
PED-UNI-5b7f1100-1
0.364
DAN-RED-da448e80-1
0.364
PED-UNI-8d53fd73-1
0.364
DAR-DIA-0cde14eb-12
0.362
DAR-DIA-0cde14eb-13
0.362
MAK-UNK-f203cb68-13
0.360
MAK-UNK-f203cb68-2
0.358
SAM-UNK-2684b532-1
0.354
JAN-GHE-83b26c96-3
0.354
MAK-UNK-129dcd6f-6
0.352
SAM-UNK-2684b532-10
0.349
DAR-DIA-0cde14eb-15
0.349
MAK-UNK-f203cb68-8
0.345
MAK-UNK-f203cb68-21
0.345
JAN-GHE-83b26c96-9
0.342
DAR-DIA-0cde14eb-70
0.342
MAT-POS-590ac91e-2
0.338
ERI-UCB-5b47150d-1
0.338
MAT-POS-590ac91e-1
0.338
ALE-HEI-f28a35b5-1
0.338
TRY-UNI-714a760b-4
0.338
MAR-TRE-7f7bb9f0-91
0.338
JAN-GHE-83b26c96-6
0.338
DAR-DIA-0cde14eb-73
0.338
DAR-DIA-0cde14eb-72
0.338
MAK-UNK-f203cb68-16
0.338
MAK-UNK-f203cb68-17
0.338
MAK-UNK-f203cb68-12
0.337
MAR-TRE-9c797165-1
0.333
DAR-DIA-0cde14eb-26
0.333
MAK-UNK-f203cb68-4
0.330
DAR-DIA-0cde14eb-41
0.330
MAK-UNK-f203cb68-22
0.326
DAR-DIA-0cde14eb-56
0.326
EDG-MED-0da5ad92-5
0.325
MAT-POS-590ac91e-13
0.324
MAT-POS-590ac91e-11
0.324
MAK-UNK-f203cb68-7
0.322
DAR-DIA-0cde14eb-75
0.321
TRY-UNI-714a760b-21
0.321
TRY-UNI-714a760b-15
0.321
MAK-UNK-919546f0-2
0.320
MAK-UNK-f481d203-3
0.320
MAK-UNK-f481d203-4
0.320
MAT-POS-5d20d11c-1
0.319
MAT-POS-590ac91e-16
0.319
TRY-UNI-2eddb1ff-8
0.318
PET-SGC-d5b502b1-1
0.317
WIL-WAB-6ef46ddb-1
0.317
MAK-UNK-f203cb68-14
0.317
MAR-UNA-df66f71a-1
0.316
JAN-GHE-83b26c96-10
0.316
ADA-UNI-f8e79267-5
0.316
WIL-UNI-5578df48-10
0.315
TRY-UNI-714a760b-5
0.314
MAT-POS-fce787c2-3
0.312
MAK-UNK-f203cb68-11
0.312
DAR-DIA-0cde14eb-25
0.311
TRY-UNI-714a760b-16
0.311
MAR-TRE-f6f5f473-51
0.309
DRE-WAB-ae4a693c-1
0.308
PET-SGC-b0f8bd49-1
0.308
PET-SGC-d0156db4-1
0.308
DAR-DIA-0cde14eb-27
0.308
DAR-DIA-0cde14eb-28
0.308
BEN-DND-362d364a-12
0.308
MAT-POS-590ac91e-5
0.306
RAL-MED-2de63afb-16
0.305
RAL-MED-2de63afb-15
0.305
JAN-GHE-83b26c96-8
0.305
BAR-COM-0f94fc3d-19
0.304