Molecular Properties | |
SMILES: | CS(=O)(=O)NCCOC(C(=O)Nc1cccnc1)c1cccc(Cl)c1 |
MW: | 383.857 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 97.39 |
cLogP: | 1.9806 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
Hetero_hetero
ADA-UNI-f8e79267-10
0.778
ADA-UNI-f8e79267-1
0.689
ADA-UNI-f8e79267-8
0.598
ADA-UNI-f8e79267-4
0.512
ADA-UNI-f8e79267-11
0.500
ADA-UNI-f8e79267-2
0.459
KEI-TRE-d5e2018a-16
0.449
KEI-TRE-d5e2018a-19
0.448
PET-SGC-b0f8bd49-1
0.440
PET-SGC-d0156db4-1
0.440
BEN-DND-362d364a-12
0.440
DRE-WAB-ae4a693c-1
0.440
ADA-UNI-f8e79267-9
0.435
EDG-MED-0da5ad92-2
0.430
WAR-XCH-6eb0722e-4
0.424
KEI-TRE-d5e2018a-76
0.422
WAR-XCH-6eb0722e-2
0.411
ASH-UNK-40b46b30-3
0.407
ZAC-WAB-d55a3c2e-2
0.407
KEI-TRE-d5e2018a-47
0.407
ZAC-WAB-3baddbb3-1
0.407
ASH-UNK-40b46b30-13
0.393
TAM-UNI-c140e31a-10
0.393
WAR-XCH-eb7b662f-7
0.392
JOR-UNI-2fc98d0b-7
0.392
DAR-DIA-23aa0b97-14
0.392
JAN-GHE-83b26c96-19
0.392
KEI-TRE-d5e2018a-99
0.391
MAR-TRE-67513f76-32
0.391
CHR-SOS-7098f804-12
0.388
PET-UNK-ac320b15-3
0.381
PET-UNK-ac320b15-4
0.381
JOK-SYG-a0b0bf84-1
0.381
WIL-LEE-1f71e281-7
0.378
KEI-TRE-d5e2018a-25
0.378
KEI-TRE-d5e2018a-40
0.378
KEI-TRE-d5e2018a-34
0.376
MAR-TRE-2fd8122f-97
0.375
MAR-TRE-04c86cea-65
0.371
MAD-FNM-74857450-1
0.371
KEI-TRE-d5e2018a-24
0.370
ADA-UNI-f8e79267-12
0.370
WAR-XCH-6eb0722e-5
0.368
ADA-UNI-f8e79267-5
0.368
KEI-TRE-d5e2018a-43
0.366
SER-UNI-985a0e14-1
0.365
KEI-TRE-d5e2018a-69
0.363
KEI-TRE-d5e2018a-29
0.363
WAR-XCH-6eb0722e-1
0.361
KEI-TRE-d5e2018a-17
0.360
KEI-TRE-d5e2018a-81
0.360
PET-SGC-d0156db4-2
0.359
KEI-TRE-d5e2018a-55
0.359
WAR-XCH-6eb0722e-6
0.357
KEI-TRE-d5e2018a-42
0.356
JOR-UNI-2fc98d0b-2
0.355
MAK-UNK-c749d764-27
0.353
MAR-TRE-7f7bb9f0-16
0.352
KEI-TRE-d5e2018a-27
0.352
MAK-UNK-ca11b4f7-1
0.351
MAK-UNK-c749d764-9
0.351
WAR-XCH-eb7b662f-3
0.350
DAR-DIA-23aa0b97-16
0.349
JOH-IMS-62aeb97d-2
0.349
MAR-TRE-2fd8122f-25
0.349
MAR-TRE-2fd8122f-79
0.349
CHA-MCP-85291e1d-5
0.348
MAR-TRE-2fd8122f-2
0.348
MAR-TRE-2fd8122f-90
0.348
KEI-TRE-d5e2018a-80
0.347
MAR-TRE-d0525fbf-84
0.347
WAR-XCH-6eb0722e-3
0.347
JOR-UNI-2fc98d0b-10
0.347
MAK-UNK-a7b37c5e-4
0.346
MED-UNK-e6e8ef8a-1
0.345
KEI-TRE-d5e2018a-89
0.344
MAR-TRE-7f7bb9f0-92
0.343
SAD-SAT-135344c3-8
0.343
WAR-XCH-eb7b662f-5
0.341
JAN-GHE-d851b096-2
0.340
JOR-UNI-2fc98d0b-8
0.340
SAD-SAT-135344c3-6
0.340
BEN-DND-362d364a-10
0.340
JOR-UNI-2fc98d0b-11
0.340
DUN-NEW-f8ce3686-4
0.340
MAR-TRE-7f7bb9f0-49
0.337
MAK-UNK-d1e89583-8
0.337
SAM-UNK-2684b532-7
0.337
MAR-TRE-2fd8122f-69
0.337
MAR-TRE-2fd8122f-88
0.337
ERI-UCB-ce40166b-23
0.337
JOH-IMS-62aeb97d-5
0.333
MAR-TRE-67513f76-93
0.333
MAK-UNK-a7b37c5e-1
0.333
TRY-UNI-2eddb1ff-5
0.333
TRY-UNI-2eddb1ff-4
0.333
SAM-UNK-2684b532-6
0.333
JOR-UNI-2fc98d0b-16
0.333
VLA-UNK-9a7dc93f-7
0.333
MAT-POS-1e5f28a7-1
0.333