Molecular Properties | |
SMILES: | Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)Nc1cccnc1 |
MW: | 371.09 |
Fraction sp3: | 0.11 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 101.3 |
cLogP: | 2.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z31791151 |
Mcule: | MCULE-1742275389 |
Hetero_hetero
MAR-TRE-2fd8122f-84
0.563
KEI-TRE-d5e2018a-13
0.511
MAR-TRE-fd17a9b8-82
0.460
MAR-TRE-fd17a9b8-46
0.444
MAR-TRE-fd17a9b8-60
0.444
MAR-TRE-799db12b-93
0.444
MAR-TRE-2fd8122f-70
0.423
MAR-TRE-04c86cea-65
0.412
MAR-TRE-9c797165-8
0.411
MAR-TRE-67513f76-87
0.409
MAR-TRE-f6f5f473-75
0.404
MAR-TRE-2fd8122f-25
0.387
MAR-TRE-2fd8122f-76
0.383
MAR-TRE-2fd8122f-85
0.381
KEI-TRE-d5e2018a-83
0.380
MAR-TRE-2fd8122f-52
0.378
MAR-TRE-2fd8122f-2
0.376
KEI-TRE-d5e2018a-53
0.376
KEI-TRE-d5e2018a-10
0.371
MAR-TRE-f6f5f473-79
0.371
MAR-TRE-2fd8122f-5
0.370
CHR-SOS-7098f804-15
0.368
MAR-TRE-2fd8122f-24
0.367
KEI-TRE-d5e2018a-61
0.364
MAR-TRE-2fd8122f-17
0.364
KEI-TRE-d5e2018a-9
0.360
ANT-DIA-3c79be55-4
0.360
MAR-TRE-2fd8122f-58
0.359
KEI-TRE-d5e2018a-86
0.357
CHR-SOS-7098f804-11
0.356
MAR-TRE-2fd8122f-55
0.356
MAR-TRE-2fd8122f-82
0.354
CHR-SOS-7098f804-14
0.348
MAR-TRE-fd17a9b8-21
0.348
MAR-TRE-2fd8122f-86
0.345
DAR-DIA-842b4336-7
0.345
MAR-TRE-2fd8122f-60
0.344
CHR-SOS-7098f804-16
0.344
MAR-TRE-f6f5f473-29
0.344
ADA-UNI-f8e79267-1
0.344
KEI-TRE-d5e2018a-28
0.344
MAR-TRE-fd17a9b8-90
0.343
MAR-TRE-2fd8122f-83
0.343
MAK-UNK-d1e89583-9
0.341
MAR-TRE-2fd8122f-11
0.340
MAR-TRE-4b834d9a-79
0.340
CHR-SOS-7098f804-12
0.337
WAR-XCH-6eb0722e-4
0.337
MAR-TRE-d0525fbf-55
0.337
KEI-TRE-d5e2018a-70
0.333
ADA-UNI-f8e79267-7
0.333
CHR-SOS-7098f804-17
0.333
MAR-TRE-3e4e6814-34
0.333
KEI-TRE-d5e2018a-31
0.333
CHA-MCP-85291e1d-5
0.333
KEI-TRE-d5e2018a-32
0.333
SAD-SAT-f25ee457-7
0.330
EDG-MED-0da5ad92-2
0.330
WAR-XCH-6eb0722e-5
0.327
MAR-TRE-67513f76-51
0.327
JOR-UNI-2fc98d0b-2
0.327
MAR-TRE-2fd8122f-34
0.327
KEI-TRE-d5e2018a-44
0.326
CHR-SOS-7098f804-13
0.326
JOR-UNI-2fc98d0b-7
0.326
WAR-XCH-eb7b662f-7
0.326
DAR-DIA-23aa0b97-14
0.326
JAN-GHE-83b26c96-19
0.326
WAR-XCH-eb7b662f-6
0.326
KEI-TRE-d5e2018a-64
0.324
MAR-TRE-2fd8122f-6
0.324
ADA-UNI-f8e79267-8
0.324
MAR-TRE-3e4e6814-92
0.324
MAR-TRE-2fd8122f-98
0.323
MAK-UNK-c749d764-27
0.322
SAN-PRS-52b81272-2
0.321
KEI-TRE-d5e2018a-87
0.321
WAR-XCH-6eb0722e-1
0.320
KEI-TRE-d5e2018a-82
0.320
ZAC-WAB-d55a3c2e-2
0.320
ZAC-WAB-3baddbb3-1
0.320
ADA-UNI-f8e79267-2
0.320
KEI-TRE-d5e2018a-90
0.318
KEI-TRE-d5e2018a-75
0.318
KEI-TRE-d5e2018a-93
0.318
MAR-TRE-74c6519b-56
0.317
KEI-TRE-d5e2018a-88
0.317
MAR-TRE-2fd8122f-4
0.317
MAR-TRE-2fd8122f-15
0.317
MAR-TRE-2fd8122f-22
0.317
KEI-TRE-d5e2018a-52
0.317
MAK-UNK-ca11b4f7-1
0.316
JOH-IMS-62aeb97d-5
0.316
JOR-UNI-61e7b1d5-1
0.316
PET-SGC-b0f8bd49-1
0.316
ASH-UNK-40b46b30-3
0.316
ADA-UNI-f8e79267-4
0.316
BEN-DND-362d364a-12
0.316
MAR-TRE-b77b7921-83
0.316
PET-SGC-d0156db4-1
0.316