Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 |
MW: | 363.11 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 79.37 |
cLogP: | 2.26 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Hetero_hetero
MAR-TRE-04c86cea-17
0.789
MAR-TRE-f6f5f473-23
0.778
MAR-TRE-04c86cea-46
0.761
MAR-TRE-2fd8122f-13
0.757
MAR-TRE-04c86cea-49
0.633
MAR-TRE-d0525fbf-54
0.581
MAR-TRE-2fd8122f-10
0.518
MAR-TRE-4b834d9a-42
0.518
MAR-TRE-d0525fbf-90
0.513
KEI-TRE-d5e2018a-38
0.500
KEI-TRE-d5e2018a-73
0.472
MAR-TRE-2fd8122f-8
0.472
MAR-TRE-2fd8122f-33
0.457
MAR-TRE-2fd8122f-19
0.438
SAD-SAT-135344c3-2
0.437
MAR-TRE-d0525fbf-14
0.429
KEI-TRE-d5e2018a-79
0.429
MAR-TRE-74c6519b-66
0.429
MAR-TRE-2fd8122f-27
0.427
MAR-TRE-2fd8122f-29
0.422
MAR-TRE-3e4e6814-54
0.418
MAR-TRE-f6f5f473-6
0.417
LON-WEI-120e5cf5-11
0.415
MAK-UNK-009ebe36-3
0.411
SAD-SAT-135344c3-4
0.411
SAD-SAT-135344c3-5
0.407
MAR-TRE-3e4e6814-34
0.402
KEI-TRE-d5e2018a-32
0.402
KEI-TRE-d5e2018a-97
0.398
MAK-UNK-009ebe36-9
0.396
MAR-TRE-2fd8122f-22
0.396
ALE-MCD-4ac17b19-1
0.393
MAR-TRE-2fd8122f-6
0.387
MAR-TRE-2fd8122f-18
0.384
KEI-TRE-d5e2018a-9
0.383
MAK-UNK-5d2caa6f-1
0.375
MAR-TRE-d0525fbf-92
0.375
JOH-IMS-62aeb97d-3
0.375
MAK-UNK-009ebe36-7
0.375
KEI-TRE-d5e2018a-95
0.375
MAR-TRE-9c797165-80
0.373
MAR-TRE-7f7bb9f0-56
0.373
MAR-TRE-2fd8122f-52
0.372
DRA-CSI-7ec17797-18
0.370
MAR-TRE-2fd8122f-42
0.370
KEI-TRE-d5e2018a-1
0.369
MAR-TRE-2fd8122f-59
0.368
MAR-TRE-2fd8122f-64
0.368
MAR-TRE-2fd8122f-84
0.368
MAK-UNK-a7b37c5e-5
0.367
MAR-TRE-7f7bb9f0-33
0.367
DRA-CSI-7ec17797-4
0.366
SAD-SAT-2fd372d1-7
0.366
MAR-TRE-f6f5f473-79
0.366
KEI-TRE-d5e2018a-10
0.366
MAK-UNK-009ebe36-2
0.366
KEI-TRE-d5e2018a-94
0.365
MAR-TRE-67513f76-20
0.364
KEI-TRE-d5e2018a-15
0.363
MAR-TRE-7f7bb9f0-18
0.363
KEI-TRE-d5e2018a-49
0.361
MAK-UNK-009ebe36-6
0.360
KEI-TRE-d5e2018a-61
0.358
MAR-TRE-2fd8122f-30
0.358
KEI-TRE-d5e2018a-30
0.357
MAR-TRE-2fd8122f-92
0.357
KEI-TRE-d5e2018a-53
0.357
MAR-TRE-2fd8122f-81
0.357
MAR-TRE-7f7bb9f0-27
0.357
KEI-TRE-d5e2018a-22
0.355
KEI-TRE-d5e2018a-13
0.354
MAR-TRE-d0525fbf-45
0.352
NAU-LAT-64f4b287-10
0.352
SAD-SAT-135344c3-3
0.351
MAR-TRE-2fd8122f-15
0.351
KEI-TRE-d5e2018a-42
0.348
MAR-TRE-2fd8122f-82
0.348
ISA-SCH-8e98219b-1
0.346
MAR-TRE-4b834d9a-63
0.344
MAR-TRE-2fd8122f-16
0.343
MAR-TRE-3e4e6814-80
0.343
JOH-IMS-62aeb97d-1
0.341
WIL-UNI-5578df48-1
0.341
MAR-TRE-2fd8122f-50
0.340
MED-UNK-e6e8ef8a-1
0.337
FRA-FAC-9ed5a63a-3
0.337
MED-UNK-e6e8ef8a-7
0.337
FRA-FAC-9ed5a63a-4
0.337
KEI-TRE-d5e2018a-55
0.337
MAR-TRE-74c6519b-51
0.337
KEI-TRE-d5e2018a-52
0.337
MAK-UNK-009ebe36-5
0.337
MAR-TRE-2fd8122f-55
0.337
MAR-TRE-b77b7921-40
0.336
MIK-MCD-9143301b-1
0.336
MAR-TRE-2fd8122f-48
0.333
MAR-TRE-67513f76-51
0.333
BEN-DND-362d364a-10
0.333
MAR-TRE-2fd8122f-77
0.333
JOH-IMS-62aeb97d-4
0.333