Molecular Properties | |
SMILES: | CC(C(=O)Nc1cccnc1)N(c1ccc(F)cc1)S(C)(=O)=O |
MW: | 337.09 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 79.37 |
cLogP: | 2.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2160835314 |
MolPort: | MolPort-002-105-059 |
Hetero_hetero
ALE-HEI-f28a35b5-9
MAR-TRE-67513f76-32
0.762
KEI-TRE-d5e2018a-99
0.762
MAR-TRE-7f7bb9f0-16
0.738
KEI-TRE-d5e2018a-27
0.738
KEI-TRE-d5e2018a-69
0.727
KEI-TRE-d5e2018a-25
0.701
KEI-TRE-d5e2018a-55
0.667
KEI-TRE-d5e2018a-17
0.657
KEI-TRE-d5e2018a-29
0.652
KEI-TRE-d5e2018a-80
0.639
KEI-TRE-d5e2018a-19
0.634
KEI-TRE-d5e2018a-34
0.616
MAR-TRE-7f7bb9f0-92
0.597
KEI-TRE-d5e2018a-40
0.562
KEI-TRE-d5e2018a-76
0.553
KEI-TRE-d5e2018a-47
0.532
KEI-TRE-d5e2018a-81
0.500
KEI-TRE-d5e2018a-43
0.463
WIL-UNI-5578df48-1
0.452
KEI-TRE-d5e2018a-24
0.450
KEI-TRE-d5e2018a-16
0.434
KEI-TRE-d5e2018a-92
0.410
MAR-TRE-d0525fbf-92
0.409
KEI-TRE-d5e2018a-95
0.409
MAK-UNK-a7b37c5e-5
0.408
ISA-SCH-8e98219b-1
0.406
PET-SGC-b0f8bd49-1
0.405
BEN-DND-362d364a-12
0.405
PET-SGC-d0156db4-1
0.405
DRE-WAB-ae4a693c-1
0.405
JOH-IMS-62aeb97d-2
0.397
MED-UNK-e6e8ef8a-1
0.392
MAK-UNK-ca11b4f7-3
0.391
ADA-UNI-f8e79267-2
0.390
ASH-UNK-40b46b30-3
0.388
ADA-UNI-f8e79267-1
0.386
MAR-TRE-3e4e6814-93
0.385
WIL-UNI-5578df48-33
0.378
MAR-TRE-2fd8122f-79
0.377
MAR-TRE-7f7bb9f0-56
0.377
ASH-UNK-40b46b30-13
0.373
MED-UNK-e6e8ef8a-7
0.373
WIL-UNI-5578df48-7
0.372
KEI-TRE-d5e2018a-82
0.371
ADA-UNI-f8e79267-4
0.370
KEI-TRE-d5e2018a-56
0.367
MAR-TRE-7f7bb9f0-49
0.364
MAR-TRE-2fd8122f-56
0.364
JOH-IMS-62aeb97d-5
0.364
MAK-UNK-ca11b4f7-1
0.364
ADA-UNI-f8e79267-5
0.362
ADA-UNI-f8e79267-8
0.360
MAK-UNK-f0bfc2e0-1
0.357
KEI-TRE-d5e2018a-1
0.357
ZAC-WAB-d55a3c2e-2
0.356
ZAC-WAB-3baddbb3-1
0.356
MAR-TRE-2fd8122f-84
0.356
ADA-UNI-f8e79267-7
0.356
MAR-TRE-67513f76-81
0.354
MAR-TRE-2fd8122f-97
0.354
KEI-TRE-d5e2018a-89
0.353
MAR-TRE-f6f5f473-79
0.352
KEI-TRE-d5e2018a-54
0.352
WIL-UNI-5578df48-2
0.352
MAR-TRE-d0525fbf-97
0.352
MAR-TRE-2fd8122f-4
0.352
LON-WEI-adc59df6-41
0.351
MAR-TRE-2fd8122f-45
0.349
MAK-UNK-ca11b4f7-2
0.348
MAR-TRE-04c86cea-35
0.348
KEI-TRE-d5e2018a-91
0.348
KEI-TRE-d5e2018a-100
0.348
NAU-LAT-445f63e5-2
0.347
MAK-UNK-d1e89583-4
0.347
MAR-TRE-2fd8122f-69
0.346
MAR-TRE-4b834d9a-16
0.345
MAK-UNK-c749d764-9
0.345
KEI-TRE-d5e2018a-7
0.345
MAR-TRE-2fd8122f-10
0.344
MAR-TRE-2fd8122f-52
0.344
KEI-TRE-d5e2018a-65
0.344
MAR-TRE-4b834d9a-42
0.344
MAR-TRE-2fd8122f-1
0.344
MAR-TRE-67513f76-93
0.342
MAR-TRE-2fd8122f-90
0.341
TAM-UNI-c140e31a-10
0.341
ADA-UNI-f8e79267-10
0.341
MAR-TRE-2fd8122f-51
0.341
LON-WEI-adc59df6-46
0.340
DAR-DIA-842b4336-12
0.338
ANT-DIA-3c79be55-4
0.338
IAN-BAS-df1706d7-1
0.337
BAR-COM-5694a99d-4
0.337
MAK-UNK-c749d764-7
0.337
MAR-TRE-3e4e6814-66
0.337
KEI-TRE-d5e2018a-4
0.337
ASH-UNK-40b46b30-1
0.337
MAR-TRE-7f7bb9f0-46
0.333
AUS-ARG-7cfdce8f-11
0.333
KEI-TRE-d5e2018a-2
0.333