Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2ccc(-c3cn[nH]c3)s2)CC1 |
MW: | 374.03 |
Fraction sp3: | 0.38 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 86.37 |
cLogP: | 1.21 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Hetero_hetero
MED-COV-4280ac29-15
NIM-UNI-310206f0-67
0.696
NIM-UNI-310206f0-69
0.667
NIM-UNI-05f93fcc-11
0.662
NIM-UNI-05f93fcc-6
0.653
NIM-UNI-05f93fcc-2
0.652
NIM-UNI-05f93fcc-7
0.648
NIM-UNI-05f93fcc-14
0.643
NIM-UNI-05f93fcc-15
0.630
NIM-UNI-05f93fcc-17
0.616
NIM-UNI-05f93fcc-10
0.608
NIM-UNI-05f93fcc-4
0.575
NIM-UNI-05f93fcc-13
0.568
NIM-UNI-05f93fcc-9
0.566
NIM-UNI-05f93fcc-5
0.560
NIM-UNI-05f93fcc-1
0.552
NIM-UNI-05f93fcc-3
0.547
NIM-UNI-05f93fcc-8
0.541
AAR-POS-0daf6b7e-15
0.537
NIM-UNI-310206f0-68
0.512
NIM-UNI-05f93fcc-16
0.488
NIM-UNI-05f93fcc-12
0.477
MAK-UNK-c74072e5-6
0.462
MAR-TRE-6a44bbf2-52
0.451
LON-WEI-8f408cad-3
0.451
AAR-POS-d2a4d1df-22
0.451
NIM-UNI-310206f0-70
0.447
SAD-SAT-f2e2579e-3
0.439
MAK-UNK-d4768348-4
0.431
AAR-POS-d2a4d1df-32
0.425
LON-WEI-8f408cad-2
0.425
MAR-TRE-6a44bbf2-4
0.425
DRR-IMP-dff87f5e-4
0.423
PEI-IMP-ca0b2813-1
0.413
NIM-UNI-310206f0-4
0.412
PEI-IMP-ca0b2813-2
0.411
MAT-POS-ee51dedd-2
0.411
DRR-IMP-dff87f5e-1
0.411
AAR-POS-d2a4d1df-27
0.411
MAR-LAB-efb042c5-5
0.411
MAR-TRE-6a44bbf2-68
0.411
KAY-MCD-d0fe5261-1
0.411
MAR-TRE-6a44bbf2-58
0.411
SAD-SAT-3a925b8b-7
0.408
MAK-UNK-d4768348-2
0.405
JAY-UNK-11f5bdbd-1
0.405
MAK-UNK-7c9d1431-9
0.403
MAR-TRE-6a44bbf2-21
0.403
SAD-SAT-f2e2579e-9
0.400
MAK-UNK-d4768348-3
0.400
MAK-UNK-7c9d1431-22
0.397
DRR-IMP-dff87f5e-3
0.397
AAR-POS-d2a4d1df-44
0.397
MAK-UNK-e05327b2-8
0.396
MAK-UNK-7c9d1431-6
0.395
MAK-UNK-7c9d1431-17
0.395
MAK-UNK-7c9d1431-19
0.392
SAD-SAT-3a925b8b-2
0.392
DRR-IMP-db50bf6e-5
0.392
DRR-IMP-dff87f5e-7
0.392
MAK-UNK-d4768348-1
0.392
DRR-IMP-dff87f5e-8
0.390
BEN-DND-76ad4ac9-13
0.388
BEN-DND-03406596-5
0.388
MAK-UNK-7c9d1431-12
0.387
SAD-SAT-3a925b8b-3
0.387
MAK-UNK-d4768348-5
0.387
MAK-UNK-7c9d1431-13
0.387
MAR-TRE-6a44bbf2-78
0.387
RHE-UNK-eb059eb9-1
0.385
MAR-TRE-6a44bbf2-13
0.385
AAR-POS-0daf6b7e-3
0.385
WAR-XCH-79d12f6e-6
0.385
AAR-POS-d2a4d1df-36
0.385
PEI-IMP-ca0b2813-4
0.384
LON-WEI-8f408cad-4
0.382
MAR-TRE-6a44bbf2-18
0.382
MAR-TRE-6a44bbf2-24
0.382
AAR-POS-d2a4d1df-23
0.382
BEN-DND-03406596-10
0.382
SAD-SAT-bc31ec01-5
0.378
MAR-TRE-6a44bbf2-31
0.378
MAR-TRE-6a44bbf2-45
0.378
MAK-UNK-7c9d1431-30
0.378
MAK-UNK-7c9d1431-5
0.378
MAR-TRE-6a44bbf2-26
0.377
DRR-IMP-dff87f5e-5
0.377
AAR-POS-d2a4d1df-34
0.377
MAR-TRE-6a44bbf2-8
0.377
MAK-UNK-c74072e5-8
0.377
MAK-UNK-7c9d1431-8
0.377
DRR-IMP-dff87f5e-6
0.377
DRR-IMP-dff87f5e-9
0.377
MAR-TRE-6a44bbf2-7
0.375
AAR-POS-d2a4d1df-37
0.375
SAD-SAT-3a925b8b-9
0.373
ABB-MCD-f8003a30-1
0.372
MAK-UNK-7c9d1431-10
0.372
MAR-TRE-6a44bbf2-32
0.372
BAP-BUY-55f8bcae-1
0.370
MAK-UNK-d4768348-8
0.368