Molecular Properties | |
SMILES: | N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(C(=O)CCl)CC3)CC2)cc1 |
MW: | 438.11 |
Fraction sp3: | 0.53 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 101.79 |
cLogP: | 0.87 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Hetero_hetero
AAR-POS-0daf6b7e-6
SAD-SAT-9a6c5cf3-5
0.729
SAD-SAT-f2e2579e-5
0.725
DRR-IMP-dff87f5e-9
0.714
SAD-SAT-9a6c5cf3-9
0.658
SAD-SAT-9a6c5cf3-2
0.623
SAD-SAT-f2e2579e-4
0.595
SAD-SAT-9a6c5cf3-6
0.580
SAD-SAT-f2e2579e-7
0.571
SAD-SAT-f2e2579e-3
0.558
SAD-SAT-9a6c5cf3-7
0.556
SAD-SAT-9a6c5cf3-10
0.544
SAD-SAT-f2e2579e-6
0.543
SAD-SAT-f2e2579e-2
0.517
MAK-UNK-c74072e5-8
0.500
MAK-UNK-7c9d1431-6
0.500
SAD-SAT-f2e2579e-8
0.494
SAD-SAT-f2e2579e-9
0.488
DRR-IMP-dff87f5e-3
0.486
AAR-POS-d2a4d1df-44
0.486
MAK-UNK-7c9d1431-22
0.480
DRR-IMP-dff87f5e-7
0.479
MAR-LAB-efb042c5-5
0.479
AAR-POS-d2a4d1df-27
0.479
MAR-TRE-6a44bbf2-68
0.479
MAR-TRE-6a44bbf2-58
0.479
DRR-IMP-dff87f5e-1
0.479
KAY-MCD-d0fe5261-1
0.479
MAR-TRE-6a44bbf2-78
0.472
MAK-UNK-7c9d1431-13
0.472
SAD-SAT-9a6c5cf3-1
0.462
DRR-IMP-dff87f5e-6
0.459
MAK-UNK-7c9d1431-17
0.459
SAD-SAT-9a6c5cf3-4
0.457
MAK-UNK-750cfbcc-3
0.455
MAR-TRE-6a44bbf2-79
0.455
MAR-TRE-6a44bbf2-21
0.451
MAK-UNK-7c9d1431-9
0.451
AAR-POS-0daf6b7e-9
0.441
VIR-GIT-7b3d3065-2
0.441
MAK-UNK-750cfbcc-5
0.441
PEI-IMP-ca0b2813-2
0.438
SAD-SAT-f2e2579e-1
0.438
BAP-BUY-55f8bcae-1
0.430
MAK-UNK-69bf97dd-9
0.430
MAK-UNK-704ed37c-1
0.423
SAD-SAT-2ceae68f-4
0.420
SAD-SAT-3a925b8b-2
0.419
MAK-UNK-7c9d1431-19
0.418
BEN-DND-03406596-8
0.418
JAY-UNK-11f5bdbd-1
0.413
MAK-UNK-6ca90168-14
0.405
DRR-IMP-38dce17f-7
0.405
PEI-IMP-ca0b2813-1
0.403
MAK-UNK-7c9d1431-8
0.403
MAR-TRE-6a44bbf2-26
0.403
MAT-POS-ee51dedd-2
0.400
MAR-TRE-6a44bbf2-32
0.397
MAK-UNK-7c9d1431-10
0.397
ABB-MCD-f8003a30-1
0.397
SAD-SAT-5b1897b2-9
0.394
DRR-IMP-dff87f5e-4
0.392
TAT-ENA-80bfd3e5-25
0.390
MAK-UNK-7c9d1431-4
0.390
VIK-SYN-9a3d118a-8
0.390
MAK-UNK-7c9d1431-3
0.390
MAK-UNK-10dfa458-40
0.390
DRR-IMP-dff87f5e-2
0.390
MAR-TRE-6a44bbf2-18
0.390
BEN-DND-03406596-10
0.390
AAR-POS-d2a4d1df-23
0.390
LON-WEI-8f408cad-4
0.390
MAK-UNK-987948f6-3
0.387
SAD-SAT-bc31ec01-5
0.387
MAR-TRE-6a44bbf2-49
0.386
MAR-TRE-6a44bbf2-31
0.386
MAK-UNK-7c9d1431-5
0.386
MAK-UNK-7c9d1431-7
0.386
MAT-POS-590ac91e-59
0.385
PED-UNI-b79f0f51-2
0.383
AAR-POS-d2a4d1df-37
0.383
MAR-TRE-6a44bbf2-7
0.383
MAK-UNK-d4768348-1
0.382
MAK-UNK-7c9d1431-1
0.381
MAR-TRE-6a44bbf2-38
0.381
DRR-IMP-dff87f5e-8
0.380
SAD-SAT-bc31ec01-4
0.380
MAK-UNK-704ed37c-4
0.378
MAK-UNK-704ed37c-3
0.378
PEI-IMP-ca0b2813-3
0.373
IND-SYN-6c8299e8-2
0.373
MAK-UNK-704ed37c-7
0.373
MAK-UNK-69bf97dd-5
0.372
MAK-UNK-7c9d1431-2
0.372
MAR-TRE-6a44bbf2-36
0.372
MAT-POS-590ac91e-60
0.371
MED-COV-4280ac29-5
0.370
MAK-UNK-7c9d1431-11
0.366
TAT-ENA-80bfd3e5-43
0.366
MAR-TRE-6a44bbf2-65
0.366
SAD-SAT-3a925b8b-9
0.364