Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc(OC2(CC(=O)Nc3cccnc3)CC2)cc1 |
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-2
0.851
CHR-SOS-70e4c98a-5
0.704
CHR-SOS-70e4c98a-7
0.694
CHR-SOS-70e4c98a-6
0.692
CHR-SOS-70e4c98a-9
0.632
CHR-SOS-70e4c98a-8
0.623
CHR-SOS-70e4c98a-4
0.615
CHR-SOS-70e4c98a-3
0.606
CHR-SOS-70e4c98a-12
0.600
CHR-SOS-70e4c98a-1
0.589
CHR-SOS-e960e883-3
0.476
CHR-SOS-e960e883-2
0.464
MAR-TRE-7f7bb9f0-46
0.461
CHR-SOS-e960e883-1
0.453
MAR-TRE-2fd8122f-78
0.447
CHR-SOS-363cfb78-4
0.444
CHA-MCP-85291e1d-2
0.436
MED-UNK-e6e8ef8a-6
0.432
CHR-SOS-f7373dd1-4
0.423
MAR-TRE-67513f76-81
0.422
CHR-SOS-f7373dd1-5
0.421
CHR-SOS-7098f804-19
0.420
CHA-MCP-85291e1d-4
0.420
MAR-TRE-2fd8122f-37
0.420
CHR-SOS-7098f804-15
0.417
CHR-SOS-f7373dd1-1
0.412
CHR-SOS-f7373dd1-2
0.410
MAK-UNK-ca11b4f7-1
0.409
JOH-IMS-62aeb97d-5
0.409
TAM-UNI-c140e31a-13
0.409
CHR-SOS-59746812-2
0.405
PET-SGC-d0156db4-2
0.405
CHR-SOS-59746812-6
0.400
TAM-UNI-c140e31a-7
0.400
TAM-UNI-c140e31a-12
0.400
TAM-UNI-c140e31a-14
0.396
TAM-UNI-c140e31a-6
0.396
CHR-SOS-59746812-1
0.395
CHA-MCP-85291e1d-5
0.395
ALE-HEI-f28a35b5-14
0.394
CHR-SOS-59746812-5
0.390
SAN-PRS-52b81272-2
0.389
CHR-SOS-b301fc01-2
0.388
TAM-UNI-c140e31a-1
0.387
SAD-SAT-f25ee457-7
0.386
MAR-TRE-2fd8122f-5
0.385
MAR-TRE-7f7bb9f0-90
0.383
CHR-SOS-f7373dd1-6
0.381
MAR-TRE-2fd8122f-98
0.381
KEI-TRE-d5e2018a-92
0.379
MAR-TRE-7f7bb9f0-81
0.379
CHR-SOS-59746812-3
0.379
KEI-TRE-d5e2018a-14
0.376
CHR-SOS-59746812-4
0.375
CHR-SOS-1f323c23-12
0.375
KEI-TRE-d5e2018a-84
0.374
MAK-UNK-b2c98f02-6
0.374
MAR-TRE-f6f5f473-52
0.372
CHR-SOS-f7373dd1-3
0.372
DAR-DIA-842b4336-16
0.372
MED-UNK-e6e8ef8a-2
0.372
FRA-FAC-9ed5a63a-2
0.372
MAR-TRE-2fd8122f-83
0.370
KEI-TRE-d5e2018a-88
0.370
MAR-TRE-74c6519b-56
0.370
MAR-TRE-04c86cea-81
0.369
SAD-SAT-f25ee457-8
0.369
CHR-SOS-b301fc01-3
0.368
MAR-TRE-7f7bb9f0-49
0.367
CHR-SOS-54d5cf3e-7
0.367
CHR-SOS-1f323c23-9
0.367
KEI-TRE-d5e2018a-95
0.366
MAR-TRE-d0525fbf-92
0.366
SAD-SAT-24589cd1-4
0.365
ALE-HEI-f28a35b5-9
0.364
AAR-POS-d2a4d1df-13
0.364
FRA-FAC-9ed5a63a-1
0.364
MAR-TRE-2fd8122f-32
0.364
MAK-UNK-c749d764-17
0.364
MAK-UNK-a7b37c5e-4
0.360
CHR-SOS-b301fc01-5
0.360
DAR-DIA-842b4336-11
0.359
MED-UNK-e6e8ef8a-5
0.359
CHR-SOS-54d5cf3e-6
0.359
MAR-TRE-2fd8122f-59
0.359
CHR-SOS-54d5cf3e-1
0.359
MAR-TRE-b77b7921-71
0.356
MAR-TRE-7f7bb9f0-6
0.356
MAK-UNK-a7b37c5e-5
0.355
AUS-ARG-7cfdce8f-11
0.355
CHR-SOS-1f323c23-3
0.355
MAR-TRE-d0525fbf-33
0.355
MED-UNK-e6e8ef8a-3
0.354
MAR-TRE-67513f76-73
0.354
CHR-SOS-363cfb78-5
0.354
MAR-TRE-b77b7921-91
0.353
MAR-TRE-67513f76-92
0.352
MAR-TRE-67513f76-55
0.352
SAD-SAT-135344c3-10
0.352
CHR-SOS-b301fc01-1
0.352