Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 |
MW: | 399.02 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 79.37 |
cLogP: | 3.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Hetero_hetero
KEI-TRE-d5e2018a-79
1.000
MAR-TRE-3e4e6814-23
0.471
MAR-TRE-04c86cea-17
0.466
MAR-TRE-2fd8122f-13
0.437
MAR-TRE-d0525fbf-90
0.429
MAR-TRE-04c86cea-35
0.429
MAR-TRE-f6f5f473-23
0.429
MAR-TRE-04c86cea-46
0.427
MAR-TRE-2fd8122f-6
0.424
MAR-TRE-2fd8122f-10
0.424
MAR-TRE-4b834d9a-42
0.424
MAR-TRE-2fd8122f-33
0.418
KEI-TRE-d5e2018a-73
0.415
MAR-TRE-4b834d9a-65
0.409
MAR-TRE-2fd8122f-16
0.406
MAR-TRE-2fd8122f-29
0.398
KEI-TRE-d5e2018a-38
0.396
MAR-TRE-04c86cea-49
0.394
MAR-TRE-74c6519b-66
0.392
KEI-TRE-d5e2018a-10
0.387
SAD-SAT-135344c3-5
0.383
MAR-TRE-2fd8122f-19
0.383
MAR-TRE-2fd8122f-27
0.380
MAR-TRE-3e4e6814-54
0.379
NAU-LAT-64f4b287-10
0.375
KEI-TRE-d5e2018a-13
0.375
MAK-UNK-009ebe36-3
0.372
SAD-SAT-135344c3-4
0.372
LON-WEI-120e5cf5-11
0.372
MAR-TRE-2fd8122f-8
0.371
MAR-TRE-2fd8122f-85
0.368
MAR-TRE-2fd8122f-70
0.367
MAR-TRE-d0525fbf-54
0.366
KEI-TRE-d5e2018a-61
0.365
KEI-TRE-d5e2018a-53
0.364
KEI-TRE-d5e2018a-32
0.363
MAR-TRE-3e4e6814-34
0.363
KEI-TRE-d5e2018a-22
0.362
KEI-TRE-d5e2018a-9
0.361
MAK-UNK-009ebe36-2
0.358
KEI-TRE-d5e2018a-52
0.358
ALE-MCD-4ac17b19-1
0.355
MAK-UNK-009ebe36-7
0.354
SAD-SAT-135344c3-2
0.351
MAR-TRE-2fd8122f-52
0.351
JOH-IMS-62aeb97d-3
0.349
MAR-TRE-2fd8122f-81
0.349
MAR-TRE-2fd8122f-59
0.347
MAR-TRE-7f7bb9f0-33
0.344
MAR-TRE-2fd8122f-15
0.344
MAR-TRE-67513f76-51
0.340
BEN-DND-362d364a-10
0.340
TAM-UNI-c140e31a-6
0.340
MAK-UNK-009ebe36-6
0.340
ALE-HEI-f28a35b5-8
0.337
MAK-UNK-5d2caa6f-1
0.337
MAR-TRE-3e4e6814-92
0.337
MAR-TRE-3e4e6814-80
0.336
MAR-TRE-9c797165-80
0.333
MAR-TRE-d0525fbf-45
0.333
KEI-TRE-d5e2018a-97
0.333
ZAC-WAB-d55a3c2e-2
0.333
ZAC-WAB-3baddbb3-1
0.333
JOH-IMS-62aeb97d-1
0.333
KEI-TRE-d5e2018a-70
0.333
MAK-UNK-009ebe36-9
0.333
ASH-UNK-40b46b30-13
0.333
MAR-TRE-2fd8122f-55
0.330
TAM-UNI-c140e31a-12
0.330
MAR-TRE-2fd8122f-4
0.330
MAR-TRE-2fd8122f-22
0.330
MAR-TRE-2fd8122f-31
0.330
FRA-FAC-9ed5a63a-4
0.330
MED-UNK-e6e8ef8a-1
0.329
MAR-TRE-b77b7921-83
0.327
TAM-UNI-c140e31a-14
0.327
CHR-SOS-7098f804-15
0.326
MAR-TRE-2fd8122f-77
0.326
MAR-TRE-2fd8122f-82
0.326
MAR-TRE-67513f76-20
0.326
MAR-TRE-2fd8122f-37
0.326
MAR-TRE-9c797165-46
0.326
JAN-GHE-4287bd1a-9
0.326
SAD-SAT-2fd372d1-7
0.326
CHR-SOS-7098f804-11
0.326
JOH-IMS-62aeb97d-4
0.325
JOR-UNI-2fc98d0b-7
0.325
WAR-XCH-eb7b662f-7
0.325
DAR-DIA-23aa0b97-14
0.325
JAN-GHE-83b26c96-19
0.325
MAR-TRE-fd17a9b8-92
0.324
MAR-TRE-2fd8122f-1
0.324
ADA-UNI-f8e79267-8
0.323
MAR-TRE-04c86cea-86
0.322
JAY-UNK-11f5bdbd-1
0.321
CHR-SOS-7098f804-12
0.321
MAR-TRE-b77b7921-66
0.321
MAR-TRE-2fd8122f-86
0.321
MAR-TRE-04c86cea-53
0.320
TAM-UNI-c140e31a-1
0.320