Molecular Properties | |
SMILES: | O=C(CCl)N1CCC(C(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 |
MW: | 485.14 |
Fraction sp3: | 0.62 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 96.46 |
cLogP: | 1.16 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Hetero_hetero
AAR-POS-0daf6b7e-6
SAD-SAT-f2e2579e-7
0.812
MAR-TRE-6a44bbf2-38
0.675
MAK-UNK-7c9d1431-1
0.675
SAD-SAT-9a6c5cf3-2
0.624
MAR-TRE-6a44bbf2-36
0.617
MAK-UNK-7c9d1431-2
0.617
MAK-UNK-69bf97dd-2
0.587
SAD-SAT-f2e2579e-8
0.556
SAD-SAT-f2e2579e-9
0.549
SAD-SAT-9a6c5cf3-6
0.533
SAD-SAT-f2e2579e-5
0.517
SAD-SAT-f2e2579e-10
0.517
SAD-SAT-9a6c5cf3-9
0.511
SAD-SAT-9a6c5cf3-5
0.506
SAD-SAT-f2e2579e-1
0.495
SAD-SAT-9a6c5cf3-7
0.495
SAD-SAT-f2e2579e-6
0.468
SAD-SAT-9a6c5cf3-10
0.467
SAD-SAT-f2e2579e-3
0.462
SAD-SAT-9a6c5cf3-1
0.461
SAD-SAT-f2e2579e-4
0.448
BEN-DND-03406596-3
0.443
BEN-DND-76ad4ac9-14
0.443
BEN-DND-03406596-8
0.437
MAR-TRE-6a44bbf2-79
0.416
MAK-UNK-750cfbcc-3
0.416
SAD-SAT-9a6c5cf3-4
0.415
MAR-TRE-2fd8122f-33
0.413
MAK-UNK-750cfbcc-5
0.405
VIR-GIT-7b3d3065-2
0.405
AAR-POS-0daf6b7e-9
0.405
JAY-UNK-11f5bdbd-1
0.400
MAR-LAB-ff9967db-22
0.394
MAR-TRE-6a44bbf2-54
0.393
MAK-UNK-7c9d1431-16
0.393
MAR-TRE-6a44bbf2-26
0.391
MAK-UNK-7c9d1431-8
0.391
MAK-UNK-704ed37c-3
0.386
MAK-UNK-7c9d1431-4
0.380
TAT-ENA-80bfd3e5-25
0.380
IND-SYN-6c8299e8-2
0.380
MAK-UNK-69bf97dd-5
0.379
MAK-UNK-7c9d1431-7
0.376
MAR-TRE-6a44bbf2-49
0.376
MAR-TRE-6a44bbf2-31
0.376
MAK-UNK-7c9d1431-5
0.376
MAK-UNK-7c9d1431-19
0.374
MAK-UNK-7c9d1431-10
0.371
ABB-MCD-f8003a30-1
0.371
MAR-TRE-6a44bbf2-32
0.371
MAK-UNK-69bf97dd-1
0.369
MAK-UNK-7c9d1431-3
0.366
DRR-IMP-dff87f5e-2
0.366
BEN-DND-03406596-10
0.364
MAR-TRE-6a44bbf2-18
0.364
AAR-POS-d2a4d1df-23
0.364
LON-WEI-8f408cad-4
0.364
MAK-UNK-7c9d1431-22
0.363
MAK-UNK-69bf97dd-9
0.360
MAK-UNK-c74072e5-8
0.360
MAK-UNK-750cfbcc-4
0.356
KAY-MCD-d0fe5261-1
0.356
DRR-IMP-dff87f5e-1
0.356
MAR-TRE-6a44bbf2-58
0.356
MAR-TRE-6a44bbf2-66
0.356
DRR-IMP-dff87f5e-8
0.356
BEN-DND-03406596-5
0.355
BEN-DND-03406596-2
0.355
BEN-DND-76ad4ac9-12
0.355
BEN-DND-76ad4ac9-13
0.355
BEN-DND-76ad4ac9-10
0.354
BEN-DND-03406596-6
0.354
SAD-SAT-3a925b8b-3
0.352
MAK-UNK-009ebe36-6
0.352
BEN-DND-76ad4ac9-11
0.351
PEI-IMP-ca0b2813-3
0.351
BEN-DND-03406596-9
0.351
MAR-TRE-6a44bbf2-21
0.349
MAK-UNK-7c9d1431-9
0.349
MAK-UNK-704ed37c-7
0.349
AAR-POS-d2a4d1df-44
0.345
DRR-IMP-dff87f5e-3
0.345
MAK-UNK-7c9d1431-6
0.344
DRR-IMP-dff87f5e-9
0.344
MAK-UNK-7c9d1431-17
0.344
MAK-UNK-7c9d1431-11
0.344
TAT-ENA-80bfd3e5-43
0.344
MAR-TRE-6a44bbf2-65
0.344
MAK-UNK-704ed37c-1
0.341
DRR-IMP-dff87f5e-7
0.341
SAD-SAT-3a925b8b-2
0.341
MAR-LAB-efb042c5-5
0.341
AAR-POS-d2a4d1df-27
0.341
MAR-TRE-6a44bbf2-68
0.341
MAK-UNK-704ed37c-4
0.337
MAR-TRE-6a44bbf2-78
0.337
MAK-UNK-7c9d1431-13
0.337
MAK-UNK-7c9d1431-30
0.333
MAK-UNK-704ed37c-2
0.333
DRR-IMP-dff87f5e-4
0.333