Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2cccc3ccccc23)CC1 |
MW: | 352.06 |
Fraction sp3: | 0.31 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 57.69 |
cLogP: | 1.91 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
AAR-POS-d2a4d1df-34
0.571
DRR-IMP-dff87f5e-5
0.571
MAR-TRE-6a44bbf2-8
0.571
MAK-UNK-7c9d1431-12
0.565
MED-COV-4280ac29-5
0.519
MAR-TRE-6a44bbf2-7
0.515
AAR-POS-d2a4d1df-37
0.515
MAK-UNK-e05327b2-8
0.500
DRR-IMP-dff87f5e-4
0.492
MAR-TRE-6a44bbf2-21
0.492
MAK-UNK-7c9d1431-9
0.492
DRR-IMP-dff87f5e-2
0.479
MAK-UNK-7c9d1431-3
0.479
BEN-DND-03406596-9
0.479
BEN-DND-76ad4ac9-11
0.479
LON-WEI-8f408cad-2
0.470
MAR-TRE-6a44bbf2-4
0.470
AAR-POS-d2a4d1df-32
0.470
PEI-IMP-668afc53-1
0.468
SAD-SAT-f2e2579e-1
0.466
RHE-UNK-eb059eb9-1
0.464
MAR-TRE-6a44bbf2-13
0.464
AAR-POS-d2a4d1df-36
0.464
AAR-POS-0daf6b7e-3
0.464
WAR-XCH-79d12f6e-6
0.464
MAK-UNK-6ca90168-1
0.464
BEN-DND-03406596-10
0.463
LON-WEI-8f408cad-4
0.463
AAR-POS-d2a4d1df-23
0.463
MAR-TRE-6a44bbf2-18
0.463
KAT-UNK-b2a0d5b1-1
0.457
PEI-IMP-ca0b2813-2
0.455
PEI-IMP-ca0b2813-4
0.455
MAR-TRE-6a44bbf2-52
0.455
LON-WEI-8f408cad-3
0.455
AAR-POS-d2a4d1df-22
0.455
MAR-TRE-6a44bbf2-65
0.451
MAK-UNK-7c9d1431-11
0.451
TAT-ENA-80bfd3e5-43
0.451
MED-COV-4280ac29-31
0.451
AAR-POS-d2a4d1df-40
0.451
SAD-SAT-bc31ec01-10
0.450
DRR-IMP-dff87f5e-8
0.449
AAR-POS-d2a4d1df-44
0.439
DRR-IMP-dff87f5e-3
0.439
MAK-UNK-c74072e5-4
0.439
MAK-UNK-7c9d1431-4
0.438
TAT-ENA-80bfd3e5-25
0.438
MAK-UNK-7c9d1431-17
0.435
PEI-IMP-ca0b2813-1
0.435
MAT-POS-ee51dedd-2
0.433
DRR-IMP-db50bf6e-5
0.433
SAD-SAT-3a925b8b-2
0.433
MAR-TRE-6a44bbf2-68
0.433
DRR-IMP-dff87f5e-7
0.433
MAK-UNK-d4768348-4
0.433
DRR-IMP-dff87f5e-1
0.433
MAR-TRE-6a44bbf2-58
0.433
AAR-POS-0daf6b7e-15
0.433
AAR-POS-d2a4d1df-27
0.433
KAY-MCD-d0fe5261-1
0.433
MAR-LAB-efb042c5-5
0.433
MAR-TRE-6a44bbf2-45
0.432
MAK-UNK-7c9d1431-30
0.432
NAU-LAT-f723e322-5
0.432
SAD-SAT-9a6c5cf3-10
0.430
SAD-SAT-3a925b8b-7
0.429
NIM-UNI-05f93fcc-2
0.427
MAK-UNK-7c9d1431-13
0.426
JAY-UNK-11f5bdbd-1
0.426
MAK-UNK-d4768348-5
0.426
SAD-SAT-3a925b8b-6
0.426
MAR-TRE-6a44bbf2-78
0.426
NIM-UNI-05f93fcc-1
0.426
BEN-DND-03406596-2
0.425
BEN-DND-76ad4ac9-12
0.425
PEI-IMP-ca0b2813-3
0.419
BEN-DND-76ad4ac9-14
0.419
IND-SYN-6c8299e8-2
0.419
BEN-DND-03406596-3
0.419
SAD-SAT-bc31ec01-5
0.418
CLI-SEL-cf46d3af-1
0.418
MAK-UNK-7c9d1431-6
0.414
DRR-IMP-dff87f5e-6
0.414
DRR-IMP-dff87f5e-9
0.414
MAK-UNK-c74072e5-8
0.414
MAK-UNK-7c9d1431-8
0.414
MAR-TRE-6a44bbf2-26
0.414
MAK-UNK-7c9d1431-27
0.414
SAD-SAT-3a925b8b-9
0.412
MAK-UNK-d4768348-1
0.412
STE-KUL-2e0d2e88-2
0.410
SAD-SAT-bc31ec01-4
0.408
MAK-UNK-7c9d1431-10
0.408
MAR-TRE-6a44bbf2-32
0.408
ABB-MCD-f8003a30-1
0.408
SAD-SAT-3a925b8b-3
0.406
MAR-TRE-6a44bbf2-28
0.406
MAK-UNK-7c9d1431-23
0.406
MAK-UNK-d4768348-2
0.406