Molecular Properties | |
SMILES: | C[C@@H](C(=O)Nc1cccnc1)N(c1ccc(Cl)cc1)S(C)(=O)=O |
MW: | 353.06 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 79.37 |
cLogP: | 2.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-67513f76-32
1.000
KEI-TRE-d5e2018a-42
0.762
KEI-TRE-d5e2018a-27
0.750
MAR-TRE-7f7bb9f0-16
0.750
KEI-TRE-d5e2018a-69
0.738
KEI-TRE-d5e2018a-19
0.691
KEI-TRE-d5e2018a-17
0.667
KEI-TRE-d5e2018a-76
0.648
KEI-TRE-d5e2018a-25
0.638
KEI-TRE-d5e2018a-29
0.638
KEI-TRE-d5e2018a-47
0.625
KEI-TRE-d5e2018a-80
0.625
MAR-TRE-7f7bb9f0-92
0.605
KEI-TRE-d5e2018a-34
0.603
KEI-TRE-d5e2018a-40
0.569
KEI-TRE-d5e2018a-81
0.507
KEI-TRE-d5e2018a-55
0.500
KEI-TRE-d5e2018a-16
0.494
KEI-TRE-d5e2018a-24
0.456
KEI-TRE-d5e2018a-43
0.450
KEI-TRE-d5e2018a-91
0.434
KEI-TRE-d5e2018a-84
0.424
JOH-IMS-62aeb97d-2
0.403
KEI-TRE-d5e2018a-56
0.402
MAR-TRE-2fd8122f-4
0.402
MAK-UNK-a7b37c5e-4
0.400
KEI-TRE-d5e2018a-92
0.398
MED-UNK-e6e8ef8a-1
0.397
ADA-UNI-f8e79267-8
0.395
MAR-TRE-2fd8122f-1
0.393
PET-SGC-d0156db4-1
0.392
ASH-UNK-40b46b30-3
0.392
BEN-DND-362d364a-12
0.392
DRE-WAB-ae4a693c-1
0.392
PET-SGC-b0f8bd49-1
0.392
ADA-UNI-f8e79267-7
0.391
MAK-UNK-ca11b4f7-1
0.391
KEI-TRE-d5e2018a-89
0.390
MAR-TRE-3e4e6814-93
0.390
MAK-UNK-d1e89583-4
0.389
KEI-TRE-d5e2018a-54
0.388
MAR-TRE-7f7bb9f0-74
0.387
MAR-TRE-2fd8122f-79
0.382
CHR-SOS-7098f804-14
0.380
MED-UNK-e6e8ef8a-7
0.378
ADA-UNI-f8e79267-2
0.378
ASH-UNK-40b46b30-13
0.378
ADA-UNI-f8e79267-10
0.376
KEI-TRE-d5e2018a-33
0.376
MAK-UNK-ca11b4f7-3
0.375
ADA-UNI-f8e79267-1
0.373
CHR-SOS-7098f804-11
0.373
DAR-DIA-842b4336-1
0.371
CHR-SOS-7098f804-13
0.370
JOH-IMS-62aeb97d-5
0.369
ADA-UNI-f8e79267-11
0.369
CHR-SOS-7098f804-15
0.369
MAR-TRE-7f7bb9f0-49
0.368
MAR-TRE-2fd8122f-56
0.368
WAR-XCH-eb7b662f-3
0.366
MAK-UNK-a7b37c5e-1
0.365
WAR-XCH-6eb0722e-4
0.364
MAR-TRE-2fd8122f-88
0.364
MAK-UNK-f0bfc2e0-1
0.361
DAR-DIA-23aa0b97-15
0.361
ZAC-WAB-d55a3c2e-2
0.360
ZAC-WAB-3baddbb3-1
0.360
WAR-XCH-eb7b662f-4
0.360
KEI-TRE-d5e2018a-82
0.360
ADA-UNI-f8e79267-9
0.360
MAR-TRE-67513f76-81
0.359
ADA-UNI-f8e79267-4
0.358
WIL-UNI-5578df48-2
0.357
MAK-UNK-c749d764-7
0.357
MAR-TRE-7f7bb9f0-6
0.356
MAR-TRE-04c86cea-17
0.356
DAR-DIA-23aa0b97-14
0.356
JOR-UNI-2fc98d0b-7
0.356
JAN-GHE-83b26c96-19
0.356
WAR-XCH-eb7b662f-7
0.356
WAR-XCH-eb7b662f-5
0.355
MAK-UNK-ca11b4f7-2
0.354
KEI-TRE-d5e2018a-100
0.352
WAR-XCH-6eb0722e-2
0.352
CHR-SOS-7098f804-12
0.351
MAK-UNK-d1e89583-7
0.351
LON-WEI-b8d98729-24
0.351
ADA-UNI-f8e79267-5
0.350
MAK-UNK-d1e89583-8
0.350
MAR-TRE-2fd8122f-69
0.350
WIL-UNI-5578df48-4
0.350
AGN-NEW-891393a6-1
0.350
MAR-TRE-4b834d9a-16
0.349
KEI-TRE-d5e2018a-7
0.349
KEI-TRE-d5e2018a-65
0.348
MAK-UNK-d1e89583-2
0.347
DAR-DIA-23aa0b97-16
0.347
EDG-MED-0da5ad92-2
0.342
DAR-DIA-842b4336-8
0.342
DAR-DIA-842b4336-13
0.342