Molecular Properties | |
SMILES: | CC(C(=O)Nc1cccnc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O |
MW: | 387.02 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 79.37 |
cLogP: | 3.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7821371489 |
MolPort: | MolPort-002-105-647 |
Hetero_hetero
ALE-HEI-f28a35b5-9
KEI-TRE-d5e2018a-76
0.722
MAR-TRE-67513f76-32
0.625
KEI-TRE-d5e2018a-99
0.625
KEI-TRE-d5e2018a-19
0.605
KEI-TRE-d5e2018a-40
0.600
KEI-TRE-d5e2018a-17
0.581
KEI-TRE-d5e2018a-25
0.538
KEI-TRE-d5e2018a-29
0.538
KEI-TRE-d5e2018a-42
0.532
KEI-TRE-d5e2018a-34
0.531
MAR-TRE-7f7bb9f0-16
0.526
KEI-TRE-d5e2018a-27
0.526
KEI-TRE-d5e2018a-69
0.519
MAR-TRE-7f7bb9f0-92
0.518
KEI-TRE-d5e2018a-80
0.512
KEI-TRE-d5e2018a-16
0.471
MAR-TRE-2fd8122f-4
0.433
KEI-TRE-d5e2018a-43
0.430
KEI-TRE-d5e2018a-81
0.427
KEI-TRE-d5e2018a-24
0.419
MAR-TRE-2fd8122f-1
0.409
KEI-TRE-d5e2018a-55
0.407
ADA-UNI-f8e79267-7
0.407
ADA-UNI-f8e79267-8
0.396
ADA-UNI-f8e79267-10
0.393
KEI-TRE-d5e2018a-89
0.391
ADA-UNI-f8e79267-11
0.386
MAR-TRE-4b834d9a-79
0.381
MAR-TRE-2fd8122f-88
0.380
JAN-GHE-83b26c96-19
0.377
DAR-DIA-23aa0b97-14
0.377
JOR-UNI-2fc98d0b-7
0.377
WAR-XCH-eb7b662f-7
0.377
CHR-SOS-7098f804-11
0.375
KEI-TRE-d5e2018a-39
0.374
KEI-TRE-d5e2018a-54
0.374
MAR-TRE-3e4e6814-93
0.373
CHR-SOS-7098f804-12
0.372
KEI-TRE-d5e2018a-91
0.370
MAR-TRE-2fd8122f-56
0.370
JOH-IMS-62aeb97d-2
0.367
WAR-XCH-6eb0722e-4
0.366
CHR-SOS-7098f804-14
0.365
ASH-UNK-40b46b30-13
0.364
MED-UNK-e6e8ef8a-1
0.362
BEN-DND-362d364a-12
0.360
PET-SGC-b0f8bd49-1
0.360
DRE-WAB-ae4a693c-1
0.360
PET-SGC-d0156db4-1
0.360
ADA-UNI-f8e79267-1
0.360
KEI-TRE-d5e2018a-56
0.358
CHR-SOS-7098f804-15
0.356
MAK-UNK-d1e89583-4
0.354
WAR-XCH-6eb0722e-2
0.354
MAK-UNK-ca11b4f7-1
0.352
KEI-TRE-d5e2018a-7
0.352
MAR-TRE-4b834d9a-16
0.352
WAR-XCH-eb7b662f-3
0.351
MAK-UNK-a7b37c5e-1
0.350
ADA-UNI-f8e79267-2
0.348
ZAC-WAB-d55a3c2e-2
0.348
ZAC-WAB-3baddbb3-1
0.348
ADA-UNI-f8e79267-9
0.347
MAK-UNK-a7b37c5e-4
0.346
DAR-DIA-23aa0b97-15
0.346
KEI-TRE-d5e2018a-31
0.346
EDG-MED-0da5ad92-2
0.346
MED-UNK-e6e8ef8a-7
0.346
MAR-TRE-2fd8122f-97
0.345
ASH-UNK-40b46b30-3
0.345
ADA-UNI-f8e79267-4
0.345
MAR-TRE-7f7bb9f0-6
0.344
WAR-XCH-eb7b662f-5
0.341
MAK-UNK-ca11b4f7-3
0.338
MAR-TRE-7f7bb9f0-49
0.337
ADA-UNI-f8e79267-5
0.337
MAR-TRE-2fd8122f-69
0.337
KEI-TRE-d5e2018a-92
0.337
MAR-TRE-2fd8122f-52
0.337
JOH-IMS-62aeb97d-5
0.333
CHR-SOS-7098f804-17
0.333
MAR-TRE-2fd8122f-79
0.333
DAR-DIA-23aa0b97-16
0.333
KEI-TRE-d5e2018a-84
0.333
KEI-TRE-d5e2018a-4
0.330
MAK-UNK-c749d764-7
0.330
CHR-SOS-7098f804-16
0.330
WAR-XCH-eb7b662f-4
0.329
MAR-TRE-2fd8122f-70
0.327
KEI-TRE-d5e2018a-2
0.327
MAR-TRE-2fd8122f-85
0.326
JOR-UNI-2fc98d0b-8
0.326
ADA-UNI-f8e79267-12
0.326
MAR-TRE-2fd8122f-37
0.326
CHR-SOS-7098f804-13
0.326
SAD-SAT-f25ee457-8
0.326
MAK-UNK-a7b37c5e-2
0.325
WAR-XCH-eb7b662f-6
0.325
MAR-TRE-67513f76-81
0.324
KEI-TRE-d5e2018a-65
0.323