Molecular Properties | |
SMILES: | CCC(C(=O)Nc1cccnc1)N(c1cccc(Cl)c1)S(C)(=O)=O |
MW: | 367.08 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 79.37 |
cLogP: | 2.92 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7827909944 |
MolPort: | MolPort-006-777-726 |
Hetero_hetero
ALE-HEI-f28a35b5-9
KEI-TRE-d5e2018a-24
0.757
KEI-TRE-d5e2018a-81
0.686
KEI-TRE-d5e2018a-19
0.685
KEI-TRE-d5e2018a-55
0.627
KEI-TRE-d5e2018a-43
0.550
KEI-TRE-d5e2018a-29
0.532
KEI-TRE-d5e2018a-25
0.512
KEI-TRE-d5e2018a-99
0.494
MAR-TRE-67513f76-32
0.494
KEI-TRE-d5e2018a-34
0.488
KEI-TRE-d5e2018a-47
0.471
KEI-TRE-d5e2018a-76
0.471
KEI-TRE-d5e2018a-69
0.458
KEI-TRE-d5e2018a-17
0.457
ADA-UNI-f8e79267-8
0.455
ADA-UNI-f8e79267-7
0.449
KEI-TRE-d5e2018a-80
0.437
ADA-UNI-f8e79267-10
0.437
KEI-TRE-d5e2018a-42
0.434
JOR-UNI-2fc98d0b-16
0.433
JOR-UNI-2fc98d0b-2
0.430
ADA-UNI-f8e79267-11
0.430
JOR-UNI-2fc98d0b-8
0.430
JOR-UNI-2fc98d0b-14
0.430
MAR-TRE-7f7bb9f0-16
0.429
MAR-TRE-7f7bb9f0-92
0.429
KEI-TRE-d5e2018a-27
0.429
JOR-UNI-2fc98d0b-17
0.424
JOR-UNI-2fc98d0b-5
0.424
JOR-UNI-2fc98d0b-3
0.424
KEI-TRE-d5e2018a-40
0.424
JOH-IMS-62aeb97d-2
0.416
JOR-UNI-2fc98d0b-12
0.413
EDG-MED-0da5ad92-2
0.410
JOR-UNI-2fc98d0b-1
0.409
JOR-UNI-2fc98d0b-4
0.409
JOR-UNI-2fc98d0b-11
0.409
WAR-XCH-eb7b662f-7
0.408
JAN-GHE-83b26c96-19
0.408
DAR-DIA-23aa0b97-14
0.408
JOR-UNI-2fc98d0b-7
0.408
ERI-UCB-ce40166b-23
0.407
ASH-UNK-40b46b30-3
0.405
CHR-SOS-7098f804-12
0.403
JOR-UNI-2fc98d0b-15
0.392
ADA-UNI-f8e79267-9
0.387
JOR-UNI-2fc98d0b-13
0.385
JOR-UNI-2fc98d0b-6
0.385
JOR-UNI-2fc98d0b-10
0.385
KEI-TRE-d5e2018a-4
0.385
MAR-TRE-4b834d9a-16
0.378
KEI-TRE-d5e2018a-7
0.378
MAK-UNK-f0bfc2e0-1
0.375
BEN-DND-362d364a-12
0.372
PET-SGC-d0156db4-1
0.372
PET-SGC-b0f8bd49-1
0.372
DRE-WAB-ae4a693c-1
0.372
KEI-TRE-d5e2018a-89
0.371
KEI-TRE-d5e2018a-54
0.370
KEI-TRE-d5e2018a-56
0.368
SAD-SAT-135344c3-8
0.368
MAR-TRE-2fd8122f-4
0.368
ADA-UNI-f8e79267-12
0.367
MAK-UNK-ca11b4f7-1
0.366
JOH-IMS-62aeb97d-5
0.366
KEI-TRE-d5e2018a-91
0.366
DAR-DIA-23aa0b97-16
0.362
WAR-XCH-6eb0722e-4
0.362
JAN-GHE-d851b096-9
0.361
ASH-UNK-40b46b30-13
0.360
ADA-UNI-f8e79267-2
0.360
JOR-UNI-2fc98d0b-9
0.359
DAR-DIA-23aa0b97-15
0.359
KEI-TRE-d5e2018a-84
0.358
ADA-UNI-f8e79267-1
0.356
WIL-UNI-5578df48-2
0.355
MAR-TRE-04c86cea-65
0.354
CHR-SOS-7098f804-11
0.354
MAK-UNK-d1e89583-9
0.353
WAR-XCH-6eb0722e-2
0.351
MAK-UNK-d1e89583-7
0.350
MAR-TRE-4b834d9a-79
0.350
ISA-SCH-8e98219b-4
0.350
MAR-TRE-7f7bb9f0-49
0.349
MAK-UNK-c749d764-27
0.349
KEI-TRE-d5e2018a-23
0.347
MAR-TRE-2fd8122f-88
0.347
MAR-TRE-4b834d9a-27
0.347
KEI-TRE-d5e2018a-64
0.347
MAR-TRE-2fd8122f-1
0.347
WAR-XCH-eb7b662f-3
0.346
MAK-UNK-a7b37c5e-1
0.346
MAK-UNK-c749d764-17
0.346
MAR-TRE-2fd8122f-79
0.345
CHR-SOS-7098f804-14
0.345
TAM-UNI-c140e31a-10
0.344
ZAC-WAB-3baddbb3-1
0.344
ZAC-WAB-d55a3c2e-2
0.344
MAR-TRE-74c6519b-79
0.344
KEI-TRE-d5e2018a-39
0.343