Molecular Properties | |
SMILES: | CS(=O)(=O)NCC1CC1(C(=O)Nc1cccnc1)c1cccc(Cl)c1 |
MW: | 379.869 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 88.16 |
cLogP: | 2.1806 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
ADA-UNI-f8e79267-12
0.800
ADA-UNI-f8e79267-3
0.703
ADA-UNI-f8e79267-6
0.538
ADA-UNI-f8e79267-7
0.435
ADA-UNI-f8e79267-8
0.424
EDG-MED-0da5ad92-2
0.412
BEN-DND-61647d40-19
0.405
KEI-TRE-d5e2018a-19
0.400
JOR-UNI-2fc98d0b-7
0.392
WAR-XCH-eb7b662f-7
0.392
JAN-GHE-83b26c96-19
0.392
DAR-DIA-23aa0b97-14
0.392
CHR-SOS-7098f804-12
0.388
KEI-TRE-d5e2018a-16
0.387
JOR-UNI-2fc98d0b-8
0.385
JOR-UNI-2fc98d0b-11
0.381
WAR-XCH-6eb0722e-4
0.379
ADA-UNI-f8e79267-10
0.376
MAR-TRE-04c86cea-65
0.371
WAR-XCH-6eb0722e-2
0.367
JOR-UNI-2fc98d0b-5
0.367
ASH-UNK-40b46b30-13
0.363
JOR-UNI-2fc98d0b-16
0.361
PET-SGC-1fc12be1-1
0.360
JOR-UNI-2fc98d0b-14
0.360
MAR-TRE-67513f76-32
0.360
KEI-TRE-d5e2018a-99
0.360
PET-SGC-d0156db4-2
0.359
JOR-UNI-2fc98d0b-12
0.357
ADA-UNI-f8e79267-11
0.355
CHR-SOS-7098f804-15
0.355
JOR-UNI-2fc98d0b-3
0.354
JOR-UNI-2fc98d0b-17
0.354
JOR-UNI-2fc98d0b-15
0.353
MAR-TRE-7f7bb9f0-74
0.353
JOH-IMS-62aeb97d-5
0.351
DAR-DIA-23aa0b97-16
0.349
KEI-TRE-d5e2018a-47
0.347
CHR-SOS-e960e883-3
0.347
ZAC-WAB-d55a3c2e-2
0.347
ZAC-WAB-3baddbb3-1
0.347
KEI-TRE-d5e2018a-76
0.347
CHR-SOS-e960e883-1
0.347
JOR-UNI-2fc98d0b-10
0.347
JOR-UNI-2fc98d0b-13
0.347
MAK-UNK-a7b37c5e-4
0.346
MAR-TRE-2fd8122f-27
0.346
ANT-DIA-3c79be55-4
0.345
PET-SGC-b0f8bd49-1
0.344
BEN-DND-362d364a-12
0.344
ASH-UNK-40b46b30-3
0.344
PET-SGC-d0156db4-1
0.344
DRE-WAB-ae4a693c-1
0.344
ADA-UNI-f8e79267-1
0.344
SAD-SAT-135344c3-8
0.343
CHR-SOS-7098f804-11
0.341
MAK-UNK-d1e89583-9
0.341
JOR-UNI-2fc98d0b-2
0.340
WAR-XCH-6eb0722e-5
0.340
CHR-SOS-e960e883-2
0.340
JOR-UNI-2fc98d0b-4
0.340
BEN-DND-362d364a-10
0.340
JOR-UNI-2fc98d0b-1
0.340
ERI-UCB-ce40166b-23
0.337
KEI-TRE-d5e2018a-69
0.333
MAK-UNK-ca11b4f7-1
0.333
WAR-XCH-eb7b662f-3
0.333
WAR-XCH-6eb0722e-1
0.333
CHR-SOS-7098f804-17
0.333
CHR-SOS-7098f804-14
0.333
MAR-TRE-2fd8122f-2
0.333
MAR-TRE-d0525fbf-84
0.333
KEI-TRE-d5e2018a-25
0.333
ADA-UNI-f8e79267-2
0.333
JOR-UNI-2fc98d0b-6
0.333
CHA-MCP-85291e1d-5
0.333
TAM-UNI-c140e31a-10
0.333
WAR-XCH-6eb0722e-6
0.330
MAR-TRE-2fd8122f-5
0.330
MAR-TRE-04c86cea-17
0.330
CHR-SOS-70e4c98a-7
0.330
MAR-TRE-7f7bb9f0-33
0.330
KEI-TRE-d5e2018a-89
0.330
SAD-SAT-689b7d5a-10
0.330
MAR-TRE-2fd8122f-57
0.330
MAR-TRE-2fd8122f-78
0.330
CHR-SOS-f7373dd1-2
0.330
MED-UNK-e6e8ef8a-6
0.329
DAR-DIA-23aa0b97-15
0.329
MAR-TRE-2fd8122f-19
0.327
KEI-TRE-d5e2018a-91
0.327
SAD-SAT-135344c3-6
0.326
EDG-MED-0da5ad92-11
0.326
JAN-GHE-83b26c96-20
0.326
MAR-TRE-2fd8122f-37
0.326
MAR-TRE-7f7bb9f0-46
0.326
LON-WEI-120e5cf5-11
0.326
WAR-XCH-eb7b662f-5
0.326
MAR-TRE-67513f76-81
0.324
CHR-SOS-70e4c98a-9
0.323