Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2ccc(-c3cncnc3)s2)CC1 |
MW: | 386.03 |
Fraction sp3: | 0.36 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 83.47 |
cLogP: | 1.28 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Hetero_hetero
MED-COV-4280ac29-15
NIM-UNI-05f93fcc-6
0.710
NIM-UNI-310206f0-69
0.701
NIM-UNI-05f93fcc-11
0.697
NIM-UNI-310206f0-71
0.696
NIM-UNI-05f93fcc-2
0.662
NIM-UNI-05f93fcc-14
0.652
NIM-UNI-05f93fcc-10
0.639
NIM-UNI-05f93fcc-7
0.634
NIM-UNI-05f93fcc-15
0.616
NIM-UNI-05f93fcc-4
0.582
NIM-UNI-05f93fcc-17
0.581
NIM-UNI-05f93fcc-13
0.575
NIM-UNI-05f93fcc-9
0.573
NIM-UNI-05f93fcc-5
0.568
NIM-UNI-05f93fcc-1
0.561
NIM-UNI-05f93fcc-3
0.554
NIM-UNI-05f93fcc-8
0.548
AAR-POS-0daf6b7e-15
0.545
NIM-UNI-310206f0-68
0.538
NIM-UNI-05f93fcc-16
0.494
NIM-UNI-05f93fcc-12
0.483
AAR-POS-d2a4d1df-22
0.457
LON-WEI-8f408cad-3
0.457
MAR-TRE-6a44bbf2-52
0.457
MAK-UNK-c74072e5-6
0.452
AAR-POS-d2a4d1df-32
0.451
MAR-TRE-6a44bbf2-4
0.451
LON-WEI-8f408cad-2
0.451
SAD-SAT-f2e2579e-3
0.444
PEI-IMP-ca0b2813-1
0.438
DRR-IMP-dff87f5e-1
0.437
MAR-TRE-6a44bbf2-58
0.437
PEI-IMP-ca0b2813-2
0.437
KAY-MCD-d0fe5261-1
0.437
NIM-UNI-310206f0-70
0.435
JAY-UNK-11f5bdbd-1
0.431
DRR-IMP-dff87f5e-4
0.429
MAR-TRE-6a44bbf2-21
0.429
MAK-UNK-7c9d1431-9
0.429
PEI-IMP-ca0b2813-4
0.422
MAK-UNK-d4768348-4
0.417
AAR-POS-d2a4d1df-27
0.417
MAR-LAB-efb042c5-5
0.417
MAT-POS-ee51dedd-2
0.417
MAR-TRE-6a44bbf2-68
0.417
MAK-UNK-7c9d1431-10
0.413
AAR-POS-0daf6b7e-3
0.408
WAR-XCH-79d12f6e-6
0.408
MAR-TRE-6a44bbf2-13
0.408
RHE-UNK-eb059eb9-1
0.408
LON-WEI-8f408cad-4
0.405
AAR-POS-d2a4d1df-23
0.405
BEN-DND-03406596-10
0.405
MAR-TRE-6a44bbf2-18
0.405
SAD-SAT-f2e2579e-9
0.404
DRR-IMP-dff87f5e-3
0.403
AAR-POS-d2a4d1df-44
0.403
MAR-TRE-6a44bbf2-8
0.400
MAK-UNK-e05327b2-8
0.400
AAR-POS-d2a4d1df-34
0.400
DRR-IMP-dff87f5e-5
0.400
DRR-IMP-dff87f5e-6
0.400
MAK-UNK-7c9d1431-6
0.400
NIM-UNI-310206f0-3
0.397
DRR-IMP-db50bf6e-5
0.397
DRR-IMP-dff87f5e-7
0.397
SAD-SAT-3a925b8b-2
0.397
MAR-TRE-6a44bbf2-32
0.395
DRR-IMP-dff87f5e-8
0.395
ABB-MCD-f8003a30-1
0.395
SAD-SAT-3a925b8b-7
0.395
BEN-DND-76ad4ac9-13
0.392
BEN-DND-03406596-5
0.392
MAK-UNK-7c9d1431-13
0.392
MAK-UNK-d4768348-2
0.392
MAK-UNK-d4768348-5
0.392
MAK-UNK-7c9d1431-12
0.392
SAD-SAT-3a925b8b-3
0.392
MAR-TRE-6a44bbf2-78
0.392
SAD-SAT-3a925b8b-6
0.392
AAR-POS-d2a4d1df-36
0.390
MAR-TRE-6a44bbf2-24
0.387
MAK-UNK-d4768348-3
0.387
MAK-UNK-7c9d1431-22
0.385
KAT-UNK-b2a0d5b1-1
0.385
SAD-SAT-bc31ec01-5
0.384
MAR-TRE-6a44bbf2-26
0.382
MAK-UNK-7c9d1431-17
0.382
MAK-UNK-7c9d1431-8
0.382
MAK-UNK-c74072e5-8
0.382
DRR-IMP-dff87f5e-9
0.382
BEN-DND-03406596-8
0.380
MAK-UNK-d4768348-1
0.378
SAD-SAT-3a925b8b-9
0.378
BEN-DND-03406596-2
0.375
BAP-BUY-55f8bcae-1
0.375
BEN-DND-76ad4ac9-12
0.375
MAK-UNK-d4768348-8
0.373
IND-SYN-6c8299e8-2
0.370
TAT-ENA-80bfd3e5-25
0.370