Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2ccc(-c3ccccc3)s2)CC1 |
MW: | 384.04 |
Fraction sp3: | 0.31 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 57.69 |
cLogP: | 2.49 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Hetero_hetero
AAR-POS-d2a4d1df-34
NIM-UNI-05f93fcc-11
0.758
NIM-UNI-05f93fcc-14
0.734
NIM-UNI-310206f0-69
0.734
NIM-UNI-05f93fcc-6
0.691
NIM-UNI-05f93fcc-10
0.691
NIM-UNI-05f93fcc-15
0.691
NIM-UNI-05f93fcc-7
0.662
NIM-UNI-310206f0-67
0.662
NIM-UNI-310206f0-71
0.652
NIM-UNI-05f93fcc-3
0.623
NIM-UNI-05f93fcc-5
0.592
NIM-UNI-05f93fcc-1
0.587
NIM-UNI-05f93fcc-4
0.584
NIM-UNI-05f93fcc-13
0.577
AAR-POS-0daf6b7e-15
0.571
NIM-UNI-05f93fcc-17
0.562
NIM-UNI-310206f0-68
0.560
NIM-UNI-05f93fcc-9
0.554
NIM-UNI-05f93fcc-8
0.549
NIM-UNI-05f93fcc-16
0.531
NIM-UNI-05f93fcc-12
0.518
MAK-UNK-7c9d1431-9
0.516
MAR-TRE-6a44bbf2-21
0.516
AAR-POS-d2a4d1df-22
0.500
LON-WEI-8f408cad-3
0.500
MAR-TRE-6a44bbf2-52
0.500
AAR-POS-d2a4d1df-32
0.493
LON-WEI-8f408cad-2
0.493
MAR-TRE-6a44bbf2-4
0.493
MAK-UNK-e05327b2-8
0.464
NIM-UNI-310206f0-70
0.451
MAK-UNK-c74072e5-6
0.451
MAK-UNK-7c9d1431-12
0.449
SAD-SAT-f2e2579e-3
0.443
MAR-TRE-6a44bbf2-18
0.443
LON-WEI-8f408cad-4
0.443
AAR-POS-d2a4d1df-23
0.443
MAR-TRE-6a44bbf2-8
0.437
AAR-POS-d2a4d1df-34
0.437
MAR-TRE-6a44bbf2-68
0.435
MAR-LAB-efb042c5-5
0.435
MAT-POS-ee51dedd-2
0.435
AAR-POS-d2a4d1df-27
0.435
NAU-LAT-f723e322-5
0.434
MAR-TRE-6a44bbf2-28
0.429
MAK-UNK-7c9d1431-23
0.429
BEN-DND-76ad4ac9-13
0.427
SAD-SAT-29425be4-16
0.424
IND-SYN-6c8299e8-2
0.421
TAT-ENA-80bfd3e5-25
0.421
MAK-UNK-7c9d1431-4
0.421
AAR-POS-d2a4d1df-44
0.420
PEI-IMP-ca0b2813-4
0.420
PEI-IMP-ca0b2813-1
0.417
MAK-UNK-7c9d1431-6
0.417
MAK-UNK-7c9d1431-27
0.417
PEI-IMP-ca0b2813-2
0.414
SAD-SAT-3a925b8b-2
0.414
MAK-UNK-d4768348-4
0.414
MAR-TRE-6a44bbf2-58
0.414
KAY-MCD-d0fe5261-1
0.414
MAK-UNK-7c9d1431-11
0.413
MAR-TRE-6a44bbf2-65
0.413
TAT-ENA-80bfd3e5-43
0.413
AAR-POS-d2a4d1df-37
0.413
MAR-TRE-6a44bbf2-7
0.413
MAK-UNK-7c9d1431-13
0.408
MAK-UNK-d4768348-8
0.408
MAR-TRE-6a44bbf2-78
0.408
BEN-DND-76ad4ac9-12
0.408
MAR-TRE-6a44bbf2-13
0.405
AAR-POS-0daf6b7e-3
0.405
WAR-XCH-79d12f6e-6
0.405
AAR-POS-d2a4d1df-36
0.405
MAK-UNK-d4768348-3
0.403
PEI-IMP-ca0b2813-3
0.403
MAK-UNK-7c9d1431-3
0.403
SAD-SAT-f2e2579e-9
0.402
MAK-UNK-7c9d1431-22
0.400
SAD-SAT-bc31ec01-5
0.400
MAR-TRE-6a44bbf2-26
0.397
MAK-UNK-c74072e5-8
0.397
MAK-UNK-7c9d1431-17
0.397
MAK-UNK-7c9d1431-8
0.397
SAD-SAT-3a925b8b-9
0.394
MAK-UNK-d4768348-1
0.394
MAK-UNK-7c9d1431-10
0.392
SAD-SAT-3a925b8b-7
0.392
MAR-TRE-6a44bbf2-32
0.392
ABB-MCD-f8003a30-1
0.392
SAD-SAT-3a925b8b-3
0.389
SAD-SAT-3a925b8b-6
0.389
MAK-UNK-d4768348-5
0.389
MAK-UNK-d4768348-2
0.389
MAK-UNK-987948f6-2
0.388
BEN-DND-76ad4ac9-14
0.385
BEN-DND-76ad4ac9-11
0.385
MAR-TRE-6a44bbf2-24
0.384
MAK-UNK-d4768348-7
0.384
MAK-UNK-7c9d1431-5
0.380