Molecular Properties | |
SMILES: | NS(=O)(=O)c1cccc(OC2(CC(=O)Nc3cccnc3)CC2)c1 |
MW: | 347.396 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 111.38 |
cLogP: | 1.6692 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
CHR-SOS-70e4c98a-9
0.910
CHR-SOS-70e4c98a-4
0.884
CHR-SOS-70e4c98a-12
0.859
CHR-SOS-70e4c98a-11
0.694
CHR-SOS-70e4c98a-6
0.606
CHR-SOS-70e4c98a-2
0.600
CHR-SOS-70e4c98a-8
0.547
CHR-SOS-70e4c98a-5
0.543
CHR-SOS-e960e883-3
0.543
CHR-SOS-70e4c98a-3
0.532
CHR-SOS-e960e883-2
0.530
CHR-SOS-70e4c98a-1
0.519
CHR-SOS-e960e883-1
0.518
CHA-MCP-85291e1d-2
0.506
CHA-MCP-85291e1d-4
0.487
CHR-SOS-363cfb78-5
0.468
CHR-SOS-7098f804-17
0.462
CHR-SOS-7098f804-22
0.451
MAR-TRE-2fd8122f-78
0.425
MAR-TRE-7f7bb9f0-46
0.420
MAR-TRE-2fd8122f-37
0.417
SAD-SAT-135344c3-10
0.414
CHR-SOS-1f323c23-11
0.413
MED-UNK-e6e8ef8a-6
0.410
TAM-UNI-c140e31a-13
0.407
CHR-SOS-1f323c23-8
0.404
CHR-SOS-1f323c23-5
0.400
CHR-SOS-f7373dd1-5
0.400
TAM-UNI-c140e31a-7
0.398
TAM-UNI-c140e31a-12
0.398
MAR-TRE-67513f76-81
0.397
TAM-UNI-c140e31a-14
0.394
TAM-UNI-c140e31a-6
0.394
CHA-MCP-85291e1d-5
0.393
CHR-SOS-1f323c23-2
0.392
CHR-SOS-f7373dd1-2
0.390
PET-SGC-d0156db4-2
0.386
JOH-IMS-62aeb97d-5
0.386
MAK-UNK-ca11b4f7-1
0.386
CHR-SOS-f7373dd1-4
0.386
CHR-SOS-59746812-2
0.386
TAM-UNI-c140e31a-1
0.385
SAD-SAT-f25ee457-7
0.385
MAR-TRE-7f7bb9f0-74
0.383
CHR-SOS-7098f804-15
0.382
MAR-TRE-7f7bb9f0-90
0.381
CHR-SOS-59746812-6
0.381
CHR-SOS-59746812-3
0.378
CHR-SOS-59746812-1
0.376
CHR-SOS-f7373dd1-1
0.376
KEI-TRE-d5e2018a-64
0.375
EDG-MED-0da5ad92-2
0.375
MAR-TRE-2fd8122f-2
0.375
CHR-SOS-59746812-4
0.374
ALE-HEI-f28a35b5-14
0.373
CHR-SOS-7098f804-19
0.372
CHR-SOS-59746812-5
0.372
CHR-SOS-b301fc01-2
0.371
MAR-TRE-2fd8122f-5
0.368
SAD-SAT-f25ee457-8
0.368
CHR-SOS-363cfb78-4
0.367
MAR-TRE-7f7bb9f0-49
0.366
CHR-SOS-f7373dd1-6
0.364
MAR-TRE-2fd8122f-98
0.364
MAK-UNK-c749d764-17
0.362
MAK-UNK-a7b37c5e-1
0.362
DAR-DIA-23aa0b97-16
0.362
MAR-TRE-7f7bb9f0-56
0.361
ALB-THE-e2bfce8e-1
0.359
MAK-UNK-a7b37c5e-4
0.359
DAR-DIA-842b4336-13
0.358
KEI-TRE-d5e2018a-84
0.358
CHR-SOS-54d5cf3e-2
0.358
MAK-UNK-b2c98f02-6
0.358
MAR-TRE-f6f5f473-52
0.356
KEI-TRE-d5e2018a-89
0.356
CHR-SOS-f7373dd1-3
0.356
MAR-TRE-7f7bb9f0-6
0.355
KEI-TRE-d5e2018a-54
0.355
MED-UNK-e6e8ef8a-2
0.354
FRA-FAC-9ed5a63a-2
0.354
MED-UNK-e6e8ef8a-3
0.354
KEI-TRE-d5e2018a-93
0.354
MAR-TRE-04c86cea-81
0.352
CHR-SOS-b301fc01-3
0.352
CHR-SOS-54d5cf3e-7
0.351
SAN-PRS-52b81272-2
0.351
MAR-TRE-4b834d9a-79
0.350
KEI-TRE-d5e2018a-59
0.350
MAK-UNK-c749d764-27
0.349
MAR-TRE-3e4e6814-50
0.349
MAR-TRE-04c86cea-97
0.349
MAR-TRE-7f7bb9f0-81
0.348
KEI-TRE-d5e2018a-7
0.348
MAR-TRE-4b834d9a-16
0.348
KEI-TRE-d5e2018a-92
0.348
MAR-TRE-2fd8122f-32
0.348
KEI-TRE-d5e2018a-65
0.347
KEI-TRE-d5e2018a-46
0.347
SAD-SAT-24589cd1-4
0.346