Molecular Properties | |
SMILES: | CC(C)C(NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)Nc1cccnc1 |
MW: | 438.11 |
Fraction sp3: | 0.32 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 108.47 |
cLogP: | 2.38 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z280481692 |
Activated haloaromatics
Hetero_hetero
Dipeptide
MAR-TRE-2fd8122f-4
0.744
MAR-TRE-2fd8122f-85
0.430
MAR-TRE-9c797165-24
0.419
MAR-TRE-2fd8122f-70
0.412
MAR-TRE-2fd8122f-52
0.411
KEI-TRE-d5e2018a-47
0.409
MAR-TRE-2fd8122f-56
0.400
MAR-TRE-67513f76-32
0.393
KEI-TRE-d5e2018a-99
0.393
KEI-TRE-d5e2018a-29
0.380
KEI-TRE-d5e2018a-33
0.379
KEI-TRE-d5e2018a-17
0.378
KEI-TRE-d5e2018a-39
0.375
KEI-TRE-d5e2018a-19
0.372
JOH-IMS-62aeb97d-2
0.369
KEI-TRE-d5e2018a-76
0.365
KEI-TRE-d5e2018a-97
0.364
KEI-TRE-d5e2018a-89
0.362
KEI-TRE-d5e2018a-24
0.358
MAK-UNK-d1e89583-4
0.357
MAR-TRE-4b834d9a-79
0.356
MAR-TRE-2fd8122f-98
0.355
KEI-TRE-d5e2018a-53
0.353
KEI-TRE-d5e2018a-18
0.352
KEI-TRE-d5e2018a-25
0.351
KEI-TRE-d5e2018a-40
0.351
KEI-TRE-d5e2018a-80
0.351
KEI-TRE-d5e2018a-13
0.350
KEI-TRE-d5e2018a-78
0.349
MAK-UNK-009ebe36-2
0.347
KEI-TRE-d5e2018a-16
0.347
KEI-TRE-d5e2018a-56
0.347
WAR-XCH-eb7b662f-7
0.345
JAN-GHE-83b26c96-19
0.345
JOR-UNI-2fc98d0b-7
0.345
DAR-DIA-23aa0b97-14
0.345
MAR-TRE-3e4e6814-93
0.344
SAD-SAT-f25ee457-8
0.344
KEI-TRE-d5e2018a-42
0.344
CHR-SOS-7098f804-15
0.344
KEI-TRE-d5e2018a-59
0.343
MAR-TRE-7f7bb9f0-49
0.341
MAR-TRE-7f7bb9f0-16
0.340
SAD-SAT-689b7d5a-6
0.340
KEI-TRE-d5e2018a-27
0.340
ADA-UNI-f8e79267-8
0.340
KEI-TRE-d5e2018a-50
0.340
WAR-XCH-eb7b662f-3
0.337
MAK-UNK-a7b37c5e-1
0.337
ADA-UNI-f8e79267-2
0.337
KEI-TRE-d5e2018a-69
0.337
KEI-TRE-d5e2018a-34
0.337
KEI-TRE-d5e2018a-9
0.337
KEI-TRE-d5e2018a-84
0.337
KEI-TRE-d5e2018a-31
0.336
BEN-DND-362d364a-12
0.333
DAR-DIA-23aa0b97-15
0.333
PET-SGC-b0f8bd49-1
0.333
PET-SGC-d0156db4-1
0.333
KEI-TRE-d5e2018a-54
0.333
KEI-TRE-d5e2018a-81
0.333
DRE-WAB-ae4a693c-1
0.333
MED-UNK-e6e8ef8a-1
0.333
WAR-XCH-eb7b662f-2
0.333
KEI-TRE-d5e2018a-10
0.333
KEI-TRE-d5e2018a-93
0.333
MAK-UNK-51bb34f9-2
0.330
KEI-TRE-d5e2018a-2
0.330
ALE-MCD-4ac17b19-1
0.330
ADA-UNI-f8e79267-11
0.330
MAK-UNK-d1e89583-9
0.330
ANN-UNI-26382800-4
0.330
DAR-DIA-23aa0b97-5
0.330
WAR-XCH-eb7b662f-1
0.330
JOR-UNI-61e7b1d5-2
0.330
WAR-XCH-eb7b662f-5
0.330
WAR-XCH-eb7b662f-6
0.329
KEI-TRE-d5e2018a-61
0.327
ADA-UNI-f8e79267-5
0.326
MAK-UNK-d1e89583-8
0.326
DAR-DIA-842b4336-9
0.326
MAK-UNK-d1e89583-7
0.326
CHR-SOS-7098f804-17
0.324
MAR-TRE-d0525fbf-14
0.324
MAR-TRE-2fd8122f-84
0.324
KEI-TRE-d5e2018a-79
0.324
ADA-UNI-f8e79267-7
0.324
ASH-UNK-40b46b30-13
0.323
CHR-SOS-7098f804-14
0.323
MAR-TRE-2fd8122f-79
0.322
MAK-UNK-d1e89583-5
0.322
MAK-UNK-d1e89583-6
0.322
MAR-TRE-b77b7921-40
0.321
JOH-IMS-62aeb97d-5
0.321
MAR-TRE-2fd8122f-5
0.320
MAR-TRE-7f7bb9f0-92
0.320
SAD-SAT-135344c3-3
0.320
SAD-SAT-135344c3-4
0.320
KEI-TRE-d5e2018a-4
0.320
SAD-SAT-f25ee457-7
0.320