Molecular Properties | |
SMILES: | CC(NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)Nc1cccnc1 |
MW: | 410.08 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 108.47 |
cLogP: | 1.74 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z280481548 |
Activated haloaromatics
Hetero_hetero
Dipeptide
MAR-TRE-2fd8122f-1
0.744
KEI-TRE-d5e2018a-47
0.433
MAR-TRE-2fd8122f-85
0.424
MAR-TRE-2fd8122f-70
0.421
MAR-TRE-2fd8122f-52
0.419
MAR-TRE-67513f76-32
0.402
KEI-TRE-d5e2018a-99
0.402
KEI-TRE-d5e2018a-29
0.389
KEI-TRE-d5e2018a-76
0.387
KEI-TRE-d5e2018a-17
0.386
KEI-TRE-d5e2018a-24
0.380
KEI-TRE-d5e2018a-19
0.380
KEI-TRE-d5e2018a-40
0.374
KEI-TRE-d5e2018a-16
0.368
MAR-TRE-2fd8122f-56
0.365
MAR-TRE-2fd8122f-98
0.363
JOH-IMS-62aeb97d-2
0.361
KEI-TRE-d5e2018a-33
0.359
KEI-TRE-d5e2018a-25
0.359
MED-UNK-e6e8ef8a-1
0.357
KEI-TRE-d5e2018a-13
0.357
KEI-TRE-d5e2018a-97
0.357
KEI-TRE-d5e2018a-81
0.356
KEI-TRE-d5e2018a-89
0.355
KEI-TRE-d5e2018a-42
0.352
CHR-SOS-7098f804-15
0.351
MAK-UNK-d1e89583-4
0.349
MAR-TRE-7f7bb9f0-16
0.348
KEI-TRE-d5e2018a-27
0.348
KEI-TRE-d5e2018a-53
0.347
KEI-TRE-d5e2018a-50
0.346
ASH-UNK-40b46b30-13
0.344
KEI-TRE-d5e2018a-69
0.344
KEI-TRE-d5e2018a-34
0.344
KEI-TRE-d5e2018a-80
0.344
KEI-TRE-d5e2018a-9
0.343
KEI-TRE-d5e2018a-84
0.343
KEI-TRE-d5e2018a-39
0.343
MAR-TRE-2fd8122f-58
0.341
KEI-TRE-d5e2018a-55
0.340
KEI-TRE-d5e2018a-10
0.340
MAR-TRE-3e4e6814-93
0.337
ADA-UNI-f8e79267-11
0.337
MAR-TRE-4b834d9a-79
0.337
KEI-TRE-d5e2018a-59
0.337
MAK-UNK-51bb34f9-2
0.337
KEI-TRE-d5e2018a-18
0.333
ADA-UNI-f8e79267-8
0.333
KEI-TRE-d5e2018a-43
0.333
KEI-TRE-d5e2018a-61
0.333
MAR-TRE-2fd8122f-25
0.333
KEI-TRE-d5e2018a-78
0.330
MAR-TRE-d0525fbf-14
0.330
KEI-TRE-d5e2018a-79
0.330
ADA-UNI-f8e79267-7
0.330
MAR-TRE-2fd8122f-84
0.330
MAR-TRE-2fd8122f-2
0.330
CHR-SOS-7098f804-14
0.330
MAR-TRE-2fd8122f-79
0.330
MAK-UNK-a7b37c5e-1
0.329
JOH-IMS-62aeb97d-5
0.329
KEI-TRE-d5e2018a-56
0.327
MAR-TRE-7f7bb9f0-92
0.327
MAR-TRE-2fd8122f-5
0.327
MAR-TRE-9c797165-24
0.327
KEI-TRE-d5e2018a-4
0.327
KEI-TRE-d5e2018a-54
0.327
PET-SGC-b0f8bd49-1
0.326
PET-SGC-d0156db4-1
0.326
DRE-WAB-ae4a693c-1
0.326
BEN-DND-362d364a-12
0.326
MED-UNK-e6e8ef8a-7
0.326
MAK-UNK-a7b37c5e-4
0.325
CHR-SOS-7098f804-11
0.322
JAN-GHE-83b26c96-19
0.321
JOR-UNI-2fc98d0b-7
0.321
WAR-XCH-eb7b662f-7
0.321
DAR-DIA-23aa0b97-14
0.321
MAR-TRE-2fd8122f-88
0.320
ADA-UNI-f8e79267-5
0.319
KEI-TRE-d5e2018a-31
0.319
MAR-TRE-7f7bb9f0-49
0.318
CHR-SOS-7098f804-12
0.318
CHR-SOS-7098f804-17
0.317
MAR-TRE-2fd8122f-95
0.317
KEI-TRE-d5e2018a-70
0.317
ADA-UNI-f8e79267-9
0.317
ZAC-WAB-d55a3c2e-2
0.316
ADA-UNI-f8e79267-10
0.316
ZAC-WAB-3baddbb3-1
0.316
ADA-UNI-f8e79267-2
0.316
MAK-UNK-ca11b4f7-2
0.316
MAK-UNK-ca11b4f7-3
0.316
MAR-TRE-b77b7921-40
0.315
KEI-TRE-d5e2018a-93
0.314
KEI-TRE-d5e2018a-75
0.314
MAR-TRE-2fd8122f-55
0.314
DAR-DIA-23aa0b97-16
0.314
KEI-TRE-d5e2018a-90
0.314
KEI-TRE-d5e2018a-88
0.314