Molecular Properties | |
SMILES: | NS(=O)(=O)c1cccc(OC2(CC(=O)Nc3cccnc3)CCC2)c1 |
MW: | 361.423 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 111.38 |
cLogP: | 2.0593 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
CHR-SOS-70e4c98a-4
0.941
CHR-SOS-70e4c98a-12
0.914
CHR-SOS-70e4c98a-7
0.910
CHR-SOS-70e4c98a-2
0.646
CHR-SOS-70e4c98a-11
0.632
CHR-SOS-70e4c98a-8
0.616
CHR-SOS-70e4c98a-5
0.588
CHR-SOS-70e4c98a-3
0.579
CHR-SOS-e960e883-3
0.568
CHR-SOS-70e4c98a-1
0.564
CHR-SOS-70e4c98a-6
0.547
CHR-SOS-e960e883-2
0.536
CHR-SOS-e960e883-1
0.523
CHA-MCP-85291e1d-2
0.494
CHA-MCP-85291e1d-4
0.476
CHR-SOS-363cfb78-5
0.458
CHR-SOS-7098f804-17
0.452
CHR-SOS-7098f804-22
0.441
CHR-SOS-1f323c23-8
0.426
MED-UNK-e6e8ef8a-6
0.418
MAR-TRE-2fd8122f-78
0.415
MAR-TRE-7f7bb9f0-46
0.410
CHR-SOS-f7373dd1-5
0.407
MAR-TRE-2fd8122f-37
0.407
CHR-SOS-1f323c23-5
0.406
SAD-SAT-135344c3-10
0.404
CHR-SOS-1f323c23-11
0.404
TAM-UNI-c140e31a-12
0.404
TAM-UNI-c140e31a-14
0.400
TAM-UNI-c140e31a-6
0.400
CHR-SOS-1f323c23-2
0.398
TAM-UNI-c140e31a-13
0.398
CHR-SOS-f7373dd1-2
0.398
PET-SGC-d0156db4-2
0.393
CHR-SOS-59746812-2
0.393
CHR-SOS-f7373dd1-4
0.393
TAM-UNI-c140e31a-1
0.392
TAM-UNI-c140e31a-7
0.389
CHR-SOS-59746812-6
0.388
MAR-TRE-67513f76-81
0.386
CHR-SOS-59746812-3
0.385
CHA-MCP-85291e1d-5
0.384
CHR-SOS-f7373dd1-1
0.384
CHR-SOS-59746812-1
0.384
CHR-SOS-59746812-4
0.380
CHR-SOS-59746812-5
0.379
SAD-SAT-f25ee457-7
0.376
JOH-IMS-62aeb97d-5
0.375
MAK-UNK-ca11b4f7-1
0.375
CHR-SOS-b301fc01-3
0.374
CHR-SOS-7098f804-15
0.374
MAR-TRE-7f7bb9f0-74
0.373
MAR-TRE-7f7bb9f0-90
0.372
CHR-SOS-f7373dd1-6
0.371
FRA-FAC-9ed5a63a-1
0.370
ALE-HEI-f28a35b5-9
0.370
AAR-POS-d2a4d1df-13
0.370
KEI-TRE-d5e2018a-64
0.367
MAR-TRE-2fd8122f-2
0.367
MED-UNK-e6e8ef8a-5
0.366
EDG-MED-0da5ad92-2
0.366
CHR-SOS-7098f804-19
0.365
MAK-UNK-b2c98f02-6
0.365
CHR-SOS-54d5cf3e-2
0.365
ALE-HEI-f28a35b5-14
0.364
MAR-TRE-f6f5f473-52
0.363
CHR-SOS-f7373dd1-3
0.363
CHR-SOS-b301fc01-2
0.363
FRA-FAC-9ed5a63a-2
0.361
MED-UNK-e6e8ef8a-3
0.361
MED-UNK-e6e8ef8a-2
0.361
CHR-SOS-e960e883-6
0.361
MAR-TRE-2fd8122f-5
0.361
CHR-SOS-363cfb78-4
0.360
SAD-SAT-f25ee457-8
0.360
MAR-TRE-04c86cea-81
0.360
MAR-TRE-b77b7921-91
0.360
CHR-SOS-54d5cf3e-7
0.358
MAR-TRE-7f7bb9f0-49
0.357
MAR-TRE-3e4e6814-50
0.356
MAR-TRE-2fd8122f-98
0.356
MAR-TRE-2fd8122f-32
0.355
DAR-DIA-23aa0b97-16
0.354
MAK-UNK-c749d764-17
0.354
MAK-UNK-a7b37c5e-1
0.354
MAR-TRE-7f7bb9f0-56
0.353
MED-UNK-e6e8ef8a-4
0.353
ALB-THE-e2bfce8e-1
0.352
KEI-TRE-d5e2018a-14
0.352
CHR-SOS-b301fc01-5
0.351
CHR-SOS-54d5cf3e-1
0.351
KEI-TRE-d5e2018a-84
0.351
CHR-SOS-54d5cf3e-6
0.351
MAK-UNK-a7b37c5e-4
0.350
DAR-DIA-842b4336-13
0.349
PET-SGC-1fc12be1-1
0.349
MAR-TRE-b77b7921-80
0.348
KEI-TRE-d5e2018a-89
0.348
MAR-TRE-7f7bb9f0-6
0.347
KEI-TRE-d5e2018a-54
0.347