Molecular Properties | |
SMILES: | CS(=O)(=O)NCCC(C(=O)Nc1cccnc1)c1cccc(Cl)c1 |
MW: | 367.858 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 88.16 |
cLogP: | 2.3966 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Hetero_hetero
ADA-UNI-f8e79267-11
0.761
ADA-UNI-f8e79267-2
0.685
ADA-UNI-f8e79267-7
0.598
ADA-UNI-f8e79267-10
0.512
PET-SGC-b0f8bd49-1
0.500
BEN-DND-362d364a-12
0.500
PET-SGC-d0156db4-1
0.500
DRE-WAB-ae4a693c-1
0.500
ADA-UNI-f8e79267-5
0.494
WAR-XCH-6eb0722e-4
0.477
ZAC-WAB-d55a3c2e-2
0.477
ZAC-WAB-3baddbb3-1
0.477
ADA-UNI-f8e79267-1
0.459
KEI-TRE-d5e2018a-16
0.455
EDG-MED-0da5ad92-2
0.455
KEI-TRE-d5e2018a-19
0.453
WAR-XCH-6eb0722e-2
0.446
JAN-GHE-83b26c96-8
0.437
ADA-UNI-f8e79267-9
0.424
WAR-XCH-6eb0722e-1
0.424
DAR-DIA-23aa0b97-14
0.416
JAN-GHE-83b26c96-19
0.416
JOR-UNI-2fc98d0b-7
0.416
WAR-XCH-eb7b662f-7
0.416
ASH-UNK-40b46b30-13
0.414
EDG-MED-0da5ad92-5
0.412
KEI-TRE-d5e2018a-76
0.411
WAR-XCH-6eb0722e-5
0.402
PET-UNK-ac320b15-3
0.398
PET-UNK-ac320b15-4
0.398
KEI-TRE-d5e2018a-47
0.396
KEI-TRE-d5e2018a-99
0.395
MAR-TRE-67513f76-32
0.395
ASH-UNK-40b46b30-3
0.395
CHR-SOS-7098f804-12
0.392
WAR-XCH-6eb0722e-3
0.392
MAR-TRE-04c86cea-65
0.389
TAM-UNI-c140e31a-10
0.382
MAK-UNK-f203cb68-1
0.381
ADA-UNI-f8e79267-4
0.379
MAK-UNK-c749d764-7
0.378
KEI-TRE-d5e2018a-55
0.378
PET-SGC-d0156db4-2
0.378
MAK-UNK-f203cb68-3
0.376
WAR-XCH-6eb0722e-6
0.375
KEI-TRE-d5e2018a-24
0.374
JOK-SYG-a0b0bf84-1
0.369
KEI-TRE-d5e2018a-40
0.367
KEI-TRE-d5e2018a-69
0.367
KEI-TRE-d5e2018a-29
0.367
KEI-TRE-d5e2018a-25
0.367
WIL-LEE-1f71e281-7
0.366
JOR-UNI-2fc98d0b-16
0.365
JAN-GHE-83b26c96-1
0.364
KEI-TRE-d5e2018a-17
0.364
MAR-TRE-2fd8122f-97
0.364
KEI-TRE-d5e2018a-81
0.364
MAD-FNM-74857450-1
0.361
KEI-TRE-d5e2018a-42
0.360
MIC-UNK-c66144cb-1
0.359
ADA-UNI-f8e79267-12
0.359
JAN-GHE-d851b096-2
0.359
MAR-TRE-2fd8122f-70
0.357
JAN-GHE-f4ca5a00-18
0.357
BEN-DND-61647d40-20
0.357
MAK-UNK-ca11b4f7-1
0.356
SER-UNI-985a0e14-1
0.356
ERI-UCB-ce40166b-23
0.354
JOH-IMS-62aeb97d-2
0.354
DAR-DIA-23aa0b97-16
0.354
MAK-UNK-b2c98f02-5
0.354
CHA-MCP-85291e1d-5
0.352
CHR-SOS-7098f804-14
0.352
MAR-TRE-2fd8122f-2
0.352
KEI-TRE-d5e2018a-34
0.351
MAK-UNK-a7b37c5e-4
0.350
ADA-UCB-6c2cb422-9
0.350
MIC-UNK-c66144cb-2
0.350
MED-UNK-e6e8ef8a-1
0.349
ANT-DIA-3c79be55-4
0.349
KEI-TRE-d5e2018a-89
0.348
KEI-TRE-d5e2018a-54
0.347
SAD-SAT-135344c3-8
0.347
WAR-XCH-eb7b662f-6
0.346
CHR-SOS-7098f804-11
0.345
MAR-TRE-3e4e6814-93
0.345
JOR-UNI-2fc98d0b-8
0.344
WIL-UNI-5578df48-24
0.344
JOR-UNI-2fc98d0b-2
0.344
CHR-SOS-7098f804-15
0.344
BEN-DND-362d364a-10
0.343
JOR-UNI-2fc98d0b-1
0.343
DUN-NEW-f8ce3686-4
0.343
ANT-DIA-b7f58f21-1
0.342
MAR-TRE-7f7bb9f0-74
0.341
MAR-TRE-7f7bb9f0-49
0.341
MAK-UNK-c749d764-27
0.341
MAR-TRE-2fd8122f-69
0.341
CHA-MCP-85291e1d-2
0.341
KEI-TRE-d5e2018a-27
0.341