Molecular Properties | |
SMILES: | O=C(CCl)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 |
MW: | 453.04 |
Fraction sp3: | 0.62 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 78.0 |
cLogP: | 1.71 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Activated haloaromatics
Hetero_hetero
AAR-POS-0daf6b7e-6
AAR-POS-0daf6b7e-15
0.717
SAD-SAT-f2e2579e-9
0.636
SAD-SAT-f2e2579e-5
0.581
SAD-SAT-9a6c5cf3-9
0.570
SAD-SAT-9a6c5cf3-5
0.566
SAD-SAT-f2e2579e-8
0.562
SAD-SAT-f2e2579e-10
0.558
SAD-SAT-9a6c5cf3-10
0.558
SAD-SAT-9a6c5cf3-7
0.550
SAD-SAT-f2e2579e-6
0.537
SAD-SAT-9a6c5cf3-6
0.537
SAD-SAT-f2e2579e-4
0.531
SAD-SAT-9a6c5cf3-2
0.519
NIM-UNI-05f93fcc-1
0.507
SAD-SAT-f2e2579e-7
0.494
MAK-UNK-750cfbcc-3
0.469
MAR-TRE-6a44bbf2-79
0.469
NIM-UNI-05f93fcc-3
0.468
SAD-SAT-9a6c5cf3-4
0.467
DRR-IMP-dff87f5e-4
0.464
SAD-SAT-f2e2579e-2
0.462
VIR-GIT-7b3d3065-2
0.455
AAR-POS-0daf6b7e-9
0.455
MAK-UNK-750cfbcc-5
0.455
NIM-UNI-05f93fcc-11
0.449
NIM-UNI-310206f0-70
0.447
SAD-SAT-f2e2579e-1
0.447
NIM-UNI-310206f0-67
0.444
NIM-UNI-05f93fcc-7
0.444
NIM-UNI-05f93fcc-5
0.444
NIM-UNI-05f93fcc-2
0.443
NIM-UNI-310206f0-71
0.439
NIM-UNI-310206f0-69
0.438
NIM-UNI-05f93fcc-14
0.438
MAK-UNK-704ed37c-1
0.435
NIM-UNI-05f93fcc-9
0.434
NIM-UNI-05f93fcc-6
0.434
NIM-UNI-05f93fcc-13
0.432
AHN-SAT-b1e6fbb2-1
0.432
MAK-UNK-69bf97dd-3
0.432
LON-WEI-8f408cad-3
0.431
MAR-TRE-6a44bbf2-52
0.431
AAR-POS-d2a4d1df-22
0.431
SAD-SAT-5b1897b2-9
0.429
SAD-SAT-9a6c5cf3-1
0.426
NIM-UNI-05f93fcc-17
0.422
NIM-UNI-05f93fcc-10
0.417
NIM-UNI-05f93fcc-15
0.417
MAK-UNK-c74072e5-8
0.413
DRR-IMP-db50bf6e-5
0.411
MAK-UNK-d4768348-1
0.411
MAK-UNK-704ed37c-4
0.408
NIM-UNI-310206f0-68
0.407
MAK-UNK-7c9d1431-12
0.405
MAK-UNK-3f402c2b-24
0.405
DRR-IMP-dff87f5e-3
0.397
AAR-POS-d2a4d1df-44
0.397
SAL-INS-1ea6d4ee-2
0.396
SAD-SAT-3a925b8b-9
0.392
MAT-POS-ee51dedd-2
0.392
SAD-SAT-3a925b8b-7
0.390
MAK-UNK-704ed37c-3
0.389
BEN-DND-03406596-5
0.388
BEN-DND-76ad4ac9-13
0.388
MAK-UNK-d4768348-2
0.387
AAR-POS-d2a4d1df-32
0.387
MAR-TRE-6a44bbf2-4
0.387
LON-WEI-8f408cad-2
0.387
JAY-UNK-11f5bdbd-1
0.387
NIM-UNI-05f93fcc-4
0.385
SAD-SAT-b55127ae-3
0.384
MAK-UNK-7c9d1431-9
0.384
MAR-TRE-6a44bbf2-21
0.384
MAK-UNK-704ed37c-7
0.384
NIM-UNI-05f93fcc-12
0.383
MAK-UNK-e05327b2-8
0.380
MAK-UNK-7c9d1431-22
0.380
AAR-POS-0daf6b7e-2
0.378
SAD-SAT-bc31ec01-5
0.378
MAK-UNK-704ed37c-6
0.378
SAD-SAT-9a6c5cf3-3
0.378
MAK-UNK-7c9d1431-6
0.377
PEI-IMP-ca0b2813-1
0.377
SAL-INS-1ea6d4ee-3
0.376
NIM-UNI-05f93fcc-16
0.376
MAK-UNK-c74072e5-6
0.374
SAD-SAT-3a925b8b-2
0.373
DRR-IMP-dff87f5e-1
0.373
MAR-LAB-efb042c5-5
0.373
MAR-TRE-6a44bbf2-68
0.373
MAR-TRE-6a44bbf2-66
0.373
DRR-IMP-dff87f5e-7
0.373
MAR-TRE-6a44bbf2-58
0.373
KAY-MCD-d0fe5261-1
0.373
AAR-POS-d2a4d1df-27
0.373
MAK-UNK-750cfbcc-4
0.373
PEI-IMP-ca0b2813-2
0.373
DRR-IMP-dff87f5e-8
0.372
MAK-UNK-7c9d1431-10
0.372
SAD-SAT-3a925b8b-6
0.368