Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 |
MW: | 379.08 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 79.37 |
cLogP: | 2.77 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Hetero_hetero
MAR-TRE-04c86cea-35
0.789
MAR-TRE-f6f5f473-23
0.789
MAR-TRE-04c86cea-46
0.771
MAR-TRE-2fd8122f-13
0.768
MAR-TRE-04c86cea-49
0.641
MAR-TRE-d0525fbf-54
0.588
MAR-TRE-d0525fbf-90
0.519
KEI-TRE-d5e2018a-38
0.506
KEI-TRE-d5e2018a-73
0.477
MAR-TRE-d0525fbf-14
0.466
KEI-TRE-d5e2018a-79
0.466
MAR-TRE-2fd8122f-8
0.461
MAR-TRE-3e4e6814-54
0.455
MAR-TRE-2fd8122f-33
0.447
SAD-SAT-135344c3-2
0.442
LON-WEI-120e5cf5-11
0.438
MAR-TRE-74c6519b-66
0.433
MAR-TRE-2fd8122f-27
0.432
MAR-TRE-2fd8122f-19
0.427
MAR-TRE-2fd8122f-29
0.427
KEI-TRE-d5e2018a-97
0.418
MAK-UNK-009ebe36-3
0.416
SAD-SAT-135344c3-4
0.416
SAD-SAT-135344c3-5
0.411
KEI-TRE-d5e2018a-32
0.407
MAR-TRE-3e4e6814-34
0.407
MAR-TRE-2fd8122f-64
0.402
MAK-UNK-009ebe36-9
0.400
ALE-MCD-4ac17b19-1
0.398
MAK-UNK-5d2caa6f-1
0.395
MAR-TRE-f6f5f473-6
0.394
MAR-TRE-2fd8122f-10
0.391
MAR-TRE-2fd8122f-6
0.391
MAR-TRE-4b834d9a-42
0.391
MAR-TRE-2fd8122f-42
0.389
MAR-TRE-2fd8122f-59
0.387
KEI-TRE-d5e2018a-9
0.387
MAR-TRE-2fd8122f-22
0.385
MAR-TRE-7f7bb9f0-18
0.382
KEI-TRE-d5e2018a-15
0.382
JOH-IMS-62aeb97d-3
0.380
KEI-TRE-d5e2018a-49
0.379
MAR-TRE-2fd8122f-81
0.378
MAR-TRE-9c797165-80
0.378
MAR-TRE-2fd8122f-18
0.372
KEI-TRE-d5e2018a-10
0.370
KEI-TRE-d5e2018a-94
0.368
MAR-TRE-7f7bb9f0-74
0.366
MAK-UNK-009ebe36-7
0.365
MAR-TRE-2fd8122f-30
0.362
KEI-TRE-d5e2018a-61
0.362
MAR-TRE-7f7bb9f0-27
0.361
KEI-TRE-d5e2018a-30
0.361
MAR-TRE-2fd8122f-92
0.361
MAK-UNK-a7b37c5e-4
0.359
MAR-TRE-2fd8122f-50
0.359
KEI-TRE-d5e2018a-13
0.358
KEI-TRE-d5e2018a-84
0.358
MAR-TRE-67513f76-32
0.356
NAU-LAT-64f4b287-10
0.356
KEI-TRE-d5e2018a-99
0.356
MAR-TRE-d0525fbf-45
0.356
MAR-TRE-7f7bb9f0-33
0.356
MAR-TRE-74c6519b-51
0.356
MAK-UNK-009ebe36-2
0.355
SAD-SAT-135344c3-3
0.355
SAD-SAT-2fd372d1-7
0.354
MAR-TRE-2fd8122f-77
0.352
MAR-TRE-2fd8122f-82
0.352
CHR-SOS-7098f804-15
0.352
MAR-TRE-2fd8122f-48
0.351
MAK-UNK-009ebe36-6
0.350
MAR-TRE-4b834d9a-63
0.347
MAR-TRE-2fd8122f-16
0.347
KEI-TRE-d5e2018a-53
0.347
KEI-TRE-d5e2018a-33
0.347
MAR-TRE-3e4e6814-80
0.346
KEI-TRE-d5e2018a-22
0.344
MED-UNK-e6e8ef8a-1
0.341
MED-UNK-e6e8ef8a-7
0.341
FRA-FAC-9ed5a63a-4
0.341
MAR-TRE-2fd8122f-15
0.340
KEI-TRE-d5e2018a-52
0.340
MAK-UNK-009ebe36-5
0.340
MAR-TRE-2fd8122f-55
0.340
CHR-SOS-7098f804-11
0.337
MAR-TRE-67513f76-20
0.337
MAR-TRE-67513f76-51
0.337
BEN-DND-362d364a-10
0.337
MAR-TRE-3159af1a-80
0.333
MAK-UNK-009ebe36-1
0.333
ALE-HEI-f28a35b5-8
0.333
MAR-TRE-b77b7921-66
0.330
MAR-TRE-2fd8122f-74
0.330
KEI-TRE-d5e2018a-39
0.330
ADA-UNI-f8e79267-9
0.330
SAL-INS-1ea6d4ee-1
0.330
CHR-SOS-7098f804-19
0.330
ZAC-WAB-d55a3c2e-2
0.330
ZAC-WAB-3baddbb3-1
0.330