Molecular Properties | |
SMILES: | NC(=O)CNS(=O)(=O)c1c[nH]c(C(=O)Nc2cccnc2)c1 |
MW: | 323.07 |
Fraction sp3: | 0.08 |
HBA: | 5 |
HBD: | 4 |
Rotatable Bonds: | 6 |
TPSA: | 147.04 |
cLogP: | -0.57 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-2fd8122f-11
0.535
MAR-TRE-2fd8122f-15
0.519
MAR-TRE-c317dd82-19
0.410
MAR-TRE-2fd8122f-2
0.405
MAR-TRE-f6f5f473-79
0.398
MAR-TRE-2fd8122f-17
0.389
MAR-TRE-f6f5f473-75
0.386
MAR-TRE-2fd8122f-58
0.386
MAR-TRE-2fd8122f-95
0.383
MAR-TRE-04c86cea-65
0.380
KEI-TRE-d5e2018a-28
0.368
MAR-TRE-f6f5f473-29
0.368
MAR-TRE-2fd8122f-83
0.366
MAR-TRE-c317dd82-39
0.365
MAR-TRE-2fd8122f-82
0.364
MAR-TRE-74c6519b-68
0.364
CHR-SOS-7098f804-12
0.364
MAK-UNK-ca11b4f7-1
0.362
MAR-TRE-2fd8122f-65
0.360
CHA-MCP-85291e1d-5
0.357
MAR-TRE-2fd8122f-84
0.355
KEI-TRE-d5e2018a-82
0.355
MAR-TRE-2fd8122f-78
0.354
ANT-DIA-3c79be55-4
0.354
MAR-TRE-67513f76-81
0.353
KEI-TRE-d5e2018a-86
0.352
MAR-TRE-2fd8122f-5
0.351
MAR-TRE-2fd8122f-34
0.348
CHR-SOS-7098f804-15
0.348
KEI-TRE-d5e2018a-91
0.348
KEI-TRE-d5e2018a-100
0.348
MAR-TRE-2fd8122f-24
0.348
MAR-TRE-67513f76-51
0.348
MAR-TRE-7f7bb9f0-49
0.346
CHA-MCP-85291e1d-2
0.345
MAR-TRE-2fd8122f-98
0.345
MAR-TRE-2fd8122f-52
0.344
JOH-IMS-62aeb97d-5
0.343
SAD-SAT-24589cd1-4
0.342
KEI-TRE-d5e2018a-90
0.342
KEI-TRE-d5e2018a-32
0.341
MAR-TRE-3e4e6814-34
0.341
KEI-TRE-d5e2018a-22
0.341
CHR-SOS-7098f804-19
0.340
KEI-TRE-d5e2018a-70
0.340
KEI-TRE-d5e2018a-89
0.337
ADA-UNI-f8e79267-1
0.337
MAR-TRE-2fd8122f-22
0.337
KEI-TRE-d5e2018a-56
0.337
MAR-TRE-2fd8122f-37
0.333
MAR-TRE-2fd8122f-85
0.333
WIL-UNI-5578df48-2
0.333
WIL-UNI-5578df48-28
0.333
CHA-MCP-85291e1d-4
0.333
EMI-TUK-a58865cc-7
0.333
CHR-SOS-7098f804-11
0.333
WIL-UNI-5578df48-15
0.333
CHR-SOS-7098f804-22
0.330
CHR-SOS-7098f804-18
0.330
JIA-UNI-12b1f9ae-1
0.329
MAK-UNK-ca11b4f7-2
0.329
MAK-UNK-ca11b4f7-3
0.329
KEI-TRE-d5e2018a-87
0.327
KEI-TRE-d5e2018a-13
0.326
KEI-TRE-d5e2018a-71
0.326
CHR-SOS-e960e883-1
0.326
MAR-TRE-3e4e6814-45
0.326
KEI-TRE-d5e2018a-36
0.326
CHR-SOS-e960e883-3
0.326
ALE-HEI-f28a35b5-4
0.325
KEI-TRE-d5e2018a-75
0.323
KEI-TRE-d5e2018a-52
0.323
KEI-TRE-d5e2018a-10
0.323
MAR-TRE-4b834d9a-57
0.323
SAD-SAT-f25ee457-7
0.323
ASH-UNK-40b46b30-3
0.322
ALE-HEI-f28a35b5-5
0.321
MAR-TRE-2fd8122f-27
0.321
MAR-TRE-2fd8122f-70
0.320
CHR-SOS-e960e883-2
0.319
MAR-TRE-2fd8122f-36
0.319
KEI-TRE-d5e2018a-24
0.319
SAD-SAT-135344c3-10
0.319
JOR-UNI-2fc98d0b-2
0.319
SAD-SAT-f25ee457-8
0.318
MAR-TRE-2fd8122f-25
0.317
JAN-GHE-4287bd1a-9
0.317
SAD-SAT-2fd372d1-7
0.317
MAK-UNK-a7b37c5e-5
0.316
TAM-UNI-c140e31a-13
0.316
ALE-HEI-f28a35b5-14
0.316
ALE-HEI-f28a35b5-15
0.316
KEI-TRE-d5e2018a-61
0.316
MAR-TRE-b77b7921-77
0.316
MAR-TRE-3e4e6814-92
0.316
KEI-TRE-d5e2018a-92
0.315
EMI-TUK-a58865cc-6
0.315
MAR-TRE-04c86cea-97
0.314
MAR-TRE-2fd8122f-71
0.314
CHR-SOS-7098f804-17
0.313