Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2ccccc2-c2cccnc2)CC1 |
MW: | 379.08 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 70.58 |
cLogP: | 1.82 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Hetero_hetero
PEI-IMP-668afc53-1
0.613
NIM-UNI-05f93fcc-6
0.579
PEI-IMP-ca0b2813-1
0.551
MAK-UNK-7c9d1431-12
0.522
SAD-SAT-bc31ec01-10
0.512
DRR-IMP-dff87f5e-5
0.507
MAR-TRE-6a44bbf2-8
0.507
AAR-POS-d2a4d1df-34
0.507
MAK-UNK-c74072e5-4
0.500
MAR-TRE-6a44bbf2-7
0.480
AAR-POS-d2a4d1df-37
0.480
DRR-IMP-db50bf6e-4
0.455
BEN-DND-76ad4ac9-11
0.449
BEN-DND-03406596-9
0.449
PEI-IMP-ca0b2813-2
0.444
MAR-TRE-6a44bbf2-21
0.437
MAK-UNK-7c9d1431-9
0.437
AAR-POS-d2a4d1df-36
0.434
RHE-UNK-eb059eb9-1
0.434
MAR-TRE-6a44bbf2-13
0.434
AAR-POS-0daf6b7e-3
0.434
WAR-XCH-79d12f6e-6
0.434
NIM-UNI-05f93fcc-3
0.427
NIM-UNI-310206f0-67
0.422
NIM-UNI-05f93fcc-2
0.420
NIM-UNI-05f93fcc-1
0.419
DRR-IMP-dff87f5e-4
0.417
NIM-UNI-310206f0-69
0.415
WAR-XCH-79d12f6e-8
0.412
KAT-UNK-b2a0d5b1-1
0.410
MAR-TRE-6a44bbf2-26
0.408
MAK-UNK-7c9d1431-8
0.408
MAR-TRE-6a44bbf2-45
0.407
MAK-UNK-7c9d1431-30
0.407
SAD-SAT-9a6c5cf3-10
0.407
AAR-POS-0daf6b7e-15
0.405
AAR-POS-d2a4d1df-27
0.405
SAD-SAT-3a925b8b-2
0.405
DRR-IMP-38dce17f-4
0.405
MAR-TRE-6a44bbf2-52
0.405
MAR-TRE-6a44bbf2-68
0.405
MAR-LAB-efb042c5-5
0.405
AAR-POS-d2a4d1df-22
0.405
LON-WEI-8f408cad-3
0.405
JAY-UNK-11f5bdbd-1
0.400
SAD-SAT-3a925b8b-3
0.400
AAR-POS-d2a4d1df-32
0.400
MAR-TRE-6a44bbf2-4
0.400
LON-WEI-8f408cad-2
0.400
BEN-DND-03406596-10
0.395
LON-WEI-8f408cad-4
0.395
AAR-POS-d2a4d1df-23
0.395
MAR-TRE-6a44bbf2-18
0.395
NAU-LAT-f723e322-5
0.393
SAD-SAT-f2e2579e-6
0.393
AAR-POS-d2a4d1df-44
0.392
DRR-IMP-dff87f5e-3
0.392
NIM-UNI-05f93fcc-11
0.390
MAR-TRE-6a44bbf2-49
0.390
MAK-UNK-7c9d1431-7
0.390
MAK-UNK-7c9d1431-17
0.390
SAD-SAT-f2e2579e-4
0.389
MAK-UNK-7c9d1431-11
0.388
MAR-TRE-6a44bbf2-65
0.388
TAT-ENA-80bfd3e5-43
0.388
DRR-IMP-dff87f5e-1
0.387
MAK-UNK-d4768348-4
0.387
MAT-POS-ee51dedd-2
0.387
DRR-IMP-dff87f5e-7
0.387
KAY-MCD-d0fe5261-1
0.387
MAR-TRE-6a44bbf2-58
0.387
DRR-IMP-dff87f5e-8
0.385
NIM-UNI-310206f0-71
0.384
BAP-BUY-55f8bcae-1
0.383
BEN-DND-03406596-2
0.383
BEN-DND-76ad4ac9-13
0.383
BEN-DND-76ad4ac9-12
0.383
BEN-DND-03406596-5
0.383
MAK-UNK-d4768348-5
0.382
MAK-UNK-7c9d1431-13
0.382
MAR-TRE-6a44bbf2-78
0.382
NIM-UNI-05f93fcc-9
0.379
MAK-UNK-7c9d1431-3
0.378
PEI-IMP-ca0b2813-3
0.378
DRR-IMP-dff87f5e-2
0.378
BEN-DND-76ad4ac9-14
0.378
BEN-DND-03406596-3
0.378
IND-SYN-6c8299e8-2
0.378
MAR-TRE-6a44bbf2-24
0.377
MAK-UNK-d4768348-3
0.377
NIM-UNI-05f93fcc-13
0.376
MAK-UNK-7c9d1431-5
0.373
MAR-TRE-6a44bbf2-31
0.373
STE-KUL-2e0d2e88-3
0.373
SAD-SAT-bc31ec01-5
0.373
NIM-UNI-05f93fcc-7
0.372
DRR-IMP-dff87f5e-6
0.372
DRR-IMP-dff87f5e-9
0.372
MAK-UNK-c74072e5-8
0.372
MAK-UNK-7c9d1431-6
0.372