Molecular Properties | |
SMILES: | CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)Nc2cccnc2)cc1 |
MW: | 415.08 |
Fraction sp3: | 0.1 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 79.37 |
cLogP: | 3.95 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7177637640 |
MolPort: | MolPort-002-225-647 |
Hetero_hetero
ALE-HEI-f28a35b5-9
KEI-TRE-d5e2018a-82
0.727
KEI-TRE-d5e2018a-91
0.658
KEI-TRE-d5e2018a-100
0.617
KEI-TRE-d5e2018a-71
0.478
MAK-UNK-a7b37c5e-1
0.449
MAR-TRE-2fd8122f-58
0.435
MAR-TRE-04c86cea-90
0.433
MAR-TRE-04c86cea-65
0.426
MAR-TRE-f6f5f473-75
0.418
MAK-UNK-d1e89583-8
0.412
MAR-TRE-2fd8122f-82
0.411
MAR-TRE-3e4e6814-34
0.404
KEI-TRE-d5e2018a-32
0.404
MAR-TRE-3e4e6814-54
0.404
MAR-TRE-67513f76-32
0.402
KEI-TRE-d5e2018a-99
0.402
KEI-TRE-d5e2018a-36
0.402
KEI-TRE-d5e2018a-89
0.400
KEI-TRE-d5e2018a-54
0.398
MAR-TRE-f6f5f473-79
0.398
KEI-TRE-d5e2018a-92
0.391
MAR-TRE-2fd8122f-65
0.391
KEI-TRE-d5e2018a-81
0.386
KEI-TRE-d5e2018a-70
0.385
MAR-TRE-4b834d9a-57
0.383
CHR-SOS-7098f804-12
0.383
MAR-TRE-2fd8122f-34
0.380
MAR-TRE-2fd8122f-24
0.379
KEI-TRE-d5e2018a-27
0.378
MAR-TRE-7f7bb9f0-16
0.378
MAR-TRE-4b834d9a-92
0.378
MAR-TRE-4b834d9a-16
0.376
KEI-TRE-d5e2018a-7
0.376
KEI-TRE-d5e2018a-69
0.374
KEI-TRE-d5e2018a-55
0.370
KEI-TRE-d5e2018a-16
0.368
KEI-TRE-d5e2018a-86
0.368
MAR-TRE-2fd8122f-22
0.368
KEI-TRE-d5e2018a-42
0.367
KEI-TRE-d5e2018a-19
0.366
MAR-TRE-4b834d9a-71
0.363
CHR-SOS-7098f804-18
0.363
KEI-TRE-d5e2018a-43
0.362
JOH-IMS-62aeb97d-2
0.361
MAK-UNK-f0bfc2e0-1
0.359
NIR-WEI-f9286bb6-3
0.358
KEI-TRE-d5e2018a-47
0.358
KEI-TRE-d5e2018a-76
0.358
KEI-TRE-d5e2018a-80
0.358
ANT-DIA-3c79be55-4
0.356
KEI-TRE-d5e2018a-17
0.356
ASH-UNK-40b46b30-3
0.356
KEI-TRE-d5e2018a-28
0.355
MAR-TRE-f6f5f473-29
0.355
SAD-SAT-135344c3-3
0.354
MAR-TRE-2fd8122f-40
0.352
KEI-TRE-d5e2018a-24
0.351
MAR-TRE-f6f5f473-36
0.351
MAR-TRE-4b834d9a-67
0.350
KEI-TRE-d5e2018a-65
0.347
CHR-SOS-7098f804-22
0.347
MAR-TRE-2fd8122f-1
0.347
KEI-TRE-d5e2018a-33
0.346
MAR-TRE-2fd8122f-25
0.346
KEI-TRE-d5e2018a-90
0.345
KEI-TRE-d5e2018a-29
0.344
ADA-UNI-f8e79267-2
0.344
KEI-TRE-d5e2018a-25
0.344
KEI-TRE-d5e2018a-84
0.343
CHR-SOS-7098f804-19
0.343
MAR-TRE-f6f5f473-58
0.343
DAR-DIA-842b4336-13
0.341
PET-SGC-d0156db4-1
0.341
DRE-WAB-ae4a693c-1
0.341
PET-SGC-b0f8bd49-1
0.341
BEN-DND-362d364a-12
0.341
BAR-COM-5694a99d-4
0.340
KEI-TRE-d5e2018a-58
0.340
KEI-TRE-d5e2018a-4
0.340
MAR-TRE-4b834d9a-43
0.340
CHR-SOS-7098f804-11
0.337
MAK-UNK-a7b37c5e-2
0.337
MAR-TRE-2fd8122f-76
0.337
MAR-TRE-2fd8122f-85
0.337
MAR-TRE-2fd8122f-70
0.337
MAR-TRE-4b834d9a-24
0.337
KEI-TRE-d5e2018a-59
0.337
MAR-TRE-2fd8122f-11
0.337
JIA-UNI-12b1f9ae-1
0.333
NIR-WEI-f9286bb6-2
0.333
WAR-XCH-6eb0722e-4
0.333
ADA-UNI-f8e79267-8
0.333
MAR-TRE-7f7bb9f0-49
0.333
MAR-TRE-2fd8122f-52
0.333
MAR-TRE-3e4e6814-45
0.330
KEI-TRE-d5e2018a-22
0.330
KEI-TRE-d5e2018a-34
0.330
MAK-UNK-129dcd6f-12
0.330
KEI-TRE-d5e2018a-40
0.330
ASH-UNK-40b46b30-13
0.330