Molecular Properties | |
SMILES: | O=C(CCl)N1CCC(C(=O)N2CCCN(S(=O)(=O)c3cccc4cnccc34)CC2)CC1 |
MW: | 478.14 |
Fraction sp3: | 0.5 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 90.89 |
cLogP: | 1.94 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Hetero_hetero
AAR-POS-0daf6b7e-6
SAD-SAT-2ceae68f-7
0.591
SAD-SAT-f2e2579e-8
0.571
SAD-SAT-2ceae68f-2
0.550
SAD-SAT-9a6c5cf3-2
0.549
SAD-SAT-f2e2579e-9
0.532
SAD-SAT-9a6c5cf3-10
0.500
SAD-SAT-9a6c5cf3-4
0.500
SAD-SAT-f2e2579e-2
0.495
SAD-SAT-f2e2579e-6
0.484
SAD-SAT-f2e2579e-4
0.479
DRR-IMP-db50bf6e-4
0.466
SAD-SAT-f2e2579e-5
0.452
SAD-SAT-9a6c5cf3-7
0.449
SAD-SAT-f2e2579e-3
0.447
SAD-SAT-9a6c5cf3-5
0.442
SAD-SAT-f2e2579e-10
0.438
SAD-SAT-f2e2579e-7
0.437
SAD-SAT-9a6c5cf3-9
0.434
SAD-SAT-9a6c5cf3-6
0.426
MAR-TRE-6a44bbf2-79
0.400
MAK-UNK-750cfbcc-3
0.400
BEN-DND-76ad4ac9-11
0.398
BEN-DND-03406596-9
0.398
MAK-UNK-750cfbcc-5
0.390
AAR-POS-0daf6b7e-9
0.390
VIR-GIT-7b3d3065-2
0.390
BEN-DND-03406596-3
0.383
BEN-DND-76ad4ac9-14
0.383
MAK-UNK-69bf97dd-8
0.373
BEN-DND-76ad4ac9-13
0.372
BEN-DND-03406596-2
0.372
BEN-DND-76ad4ac9-12
0.372
BEN-DND-03406596-5
0.372
PEI-IMP-ca0b2813-4
0.370
SAD-SAT-9a6c5cf3-1
0.369
MAK-UNK-69bf97dd-7
0.365
PEI-IMP-ca0b2813-1
0.363
BEN-DND-03406596-8
0.362
PEI-IMP-ca0b2813-2
0.360
BEN-DND-76ad4ac9-10
0.357
BEN-DND-03406596-6
0.357
MAK-UNK-7c9d1431-12
0.356
DRR-IMP-dff87f5e-4
0.352
MAR-TRE-6a44bbf2-66
0.344
MAK-UNK-750cfbcc-4
0.344
MAR-TRE-6a44bbf2-8
0.333
MAK-UNK-7c9d1431-17
0.333
DRR-IMP-dff87f5e-5
0.333
AAR-POS-d2a4d1df-34
0.333
MAK-UNK-69bf97dd-6
0.330
SAD-SAT-2ceae68f-4
0.330
LON-WEI-120e5cf5-11
0.330
MAK-UNK-704ed37c-1
0.330
PEI-IMP-668afc53-1
0.327
PEI-IMP-ca0b2813-3
0.327
SAD-SAT-3a925b8b-3
0.326
MAK-UNK-704ed37c-3
0.326
MAR-TRE-6a44bbf2-21
0.322
MAK-UNK-7c9d1431-9
0.322
MAK-UNK-69bf97dd-1
0.321
JOO-PER-58e158bd-1
0.320
LON-WEI-120e5cf5-19
0.320
TAT-ENA-80bfd3e5-43
0.320
MAR-TRE-6a44bbf2-7
0.320
AAR-POS-d2a4d1df-37
0.320
MAK-UNK-7c9d1431-11
0.320
MAR-TRE-6a44bbf2-65
0.320
NIM-UNI-05f93fcc-6
0.317
SAD-SAT-b55127ae-3
0.317
NIM-UNI-310206f0-69
0.317
DRR-IMP-dff87f5e-8
0.316
SAD-SAT-3a925b8b-7
0.316
LON-WEI-8f408cad-3
0.315
AAR-POS-d2a4d1df-22
0.315
MAR-TRE-6a44bbf2-52
0.315
TAT-ENA-80bfd3e5-25
0.313
MAK-UNK-7c9d1431-4
0.313
IND-SYN-6c8299e8-2
0.313
MAK-UNK-7c9d1431-3
0.313
DRR-IMP-dff87f5e-2
0.313
MAR-TRE-6a44bbf2-13
0.312
WAR-XCH-79d12f6e-6
0.312
AAR-POS-0daf6b7e-3
0.312
MAK-UNK-69bf97dd-10
0.312
RHE-UNK-eb059eb9-1
0.312
MAR-TRE-3159af1a-61
0.312
MAR-TRE-6a44bbf2-4
0.312
JAY-UNK-11f5bdbd-1
0.312
LON-WEI-8f408cad-2
0.312
SAD-SAT-3a925b8b-6
0.312
AAR-POS-d2a4d1df-32
0.312
MAK-UNK-69bf97dd-9
0.311
MAK-UNK-704ed37c-4
0.311
SAD-SAT-29425be4-26
0.310
MAK-UNK-7c9d1431-22
0.309
AAR-POS-d2a4d1df-23
0.309
BEN-DND-03406596-10
0.309
LON-WEI-8f408cad-4
0.309
MAR-TRE-6a44bbf2-18
0.309
MAK-UNK-704ed37c-2
0.308