Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2ccc(-c3cccnc3)s2)CC1 |
MW: | 385.03 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 70.58 |
cLogP: | 1.88 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Hetero_hetero
AAR-POS-d2a4d1df-34
NIM-UNI-310206f0-67
0.710
NIM-UNI-310206f0-69
0.706
NIM-UNI-05f93fcc-2
0.691
NIM-UNI-05f93fcc-11
0.676
NIM-UNI-310206f0-71
0.653
NIM-UNI-05f93fcc-7
0.639
NIM-UNI-05f93fcc-14
0.634
NIM-UNI-05f93fcc-10
0.600
NIM-UNI-05f93fcc-15
0.600
NIM-UNI-05f93fcc-13
0.581
NIM-UNI-05f93fcc-9
0.579
PEI-IMP-ca0b2813-4
0.579
NIM-UNI-05f93fcc-3
0.560
NIM-UNI-05f93fcc-5
0.553
PEI-IMP-ca0b2813-1
0.551
NIM-UNI-05f93fcc-4
0.549
NIM-UNI-05f93fcc-17
0.545
NIM-UNI-05f93fcc-1
0.544
NIM-UNI-05f93fcc-8
0.535
AAR-POS-0daf6b7e-15
0.529
NIM-UNI-310206f0-68
0.525
NIM-UNI-05f93fcc-12
0.489
NIM-UNI-05f93fcc-16
0.483
AAR-POS-d2a4d1df-22
0.465
MAR-TRE-6a44bbf2-52
0.465
LON-WEI-8f408cad-3
0.465
MAK-UNK-c74072e5-6
0.457
PEI-IMP-ca0b2813-2
0.444
MAR-TRE-6a44bbf2-4
0.438
LON-WEI-8f408cad-2
0.438
AAR-POS-d2a4d1df-32
0.438
SAD-SAT-f2e2579e-3
0.434
NIM-UNI-310206f0-70
0.425
MAR-LAB-efb042c5-5
0.425
MAR-TRE-6a44bbf2-68
0.425
AAR-POS-d2a4d1df-27
0.425
MAR-TRE-6a44bbf2-21
0.417
MAK-UNK-7c9d1431-9
0.417
MAK-UNK-e05327b2-8
0.407
MAT-POS-ee51dedd-2
0.405
MAK-UNK-d4768348-4
0.405
MAK-UNK-7c9d1431-12
0.400
BEN-DND-76ad4ac9-13
0.400
MAR-TRE-6a44bbf2-13
0.397
WAR-XCH-79d12f6e-6
0.397
AAR-POS-d2a4d1df-36
0.397
AAR-POS-0daf6b7e-3
0.397
SAD-SAT-f2e2579e-9
0.396
WAR-XCH-79d12f6e-8
0.395
MAR-TRE-6a44bbf2-18
0.395
AAR-POS-d2a4d1df-23
0.395
LON-WEI-8f408cad-4
0.395
MAR-TRE-6a44bbf2-24
0.395
AAR-POS-d2a4d1df-44
0.392
MAR-TRE-6a44bbf2-8
0.390
MAK-UNK-7c9d1431-6
0.390
MAK-UNK-7c9d1431-17
0.390
MAR-TRE-6a44bbf2-26
0.390
MAK-UNK-7c9d1431-8
0.390
AAR-POS-d2a4d1df-34
0.390
MAR-TRE-6a44bbf2-58
0.387
SAD-SAT-3a925b8b-2
0.387
KAY-MCD-d0fe5261-1
0.387
SAD-SAT-3a925b8b-7
0.385
MAK-UNK-7c9d1431-13
0.382
MAR-TRE-6a44bbf2-78
0.382
MAK-UNK-d4768348-5
0.382
SAD-SAT-3a925b8b-3
0.382
TAT-ENA-80bfd3e5-25
0.378
MAK-UNK-7c9d1431-4
0.378
PEI-IMP-ca0b2813-3
0.378
NAU-LAT-f723e322-5
0.378
MAK-UNK-d4768348-3
0.377
MAK-UNK-7c9d1431-22
0.375
STE-KUL-2e0d2e88-3
0.373
SAD-SAT-bc31ec01-5
0.373
MAK-UNK-c74072e5-8
0.372
MAK-UNK-7c9d1431-11
0.370
AAR-POS-d2a4d1df-37
0.370
MAR-TRE-6a44bbf2-65
0.370
TAT-ENA-80bfd3e5-43
0.370
MAR-TRE-6a44bbf2-7
0.370
SAD-SAT-3a925b8b-9
0.368
MAK-UNK-d4768348-1
0.368
ABB-MCD-f8003a30-1
0.367
MAK-UNK-7c9d1431-10
0.367
MAR-TRE-6a44bbf2-32
0.367
BEN-DND-76ad4ac9-12
0.366
SAD-SAT-3a925b8b-6
0.364
MAK-UNK-d4768348-2
0.364
MAK-UNK-d4768348-8
0.364
IND-SYN-6c8299e8-2
0.361
MAK-UNK-7c9d1431-3
0.361
MAK-UNK-d4768348-7
0.359
WAR-XCH-b0339bbe-19
0.358
MAR-TRE-6a44bbf2-49
0.357
MAK-UNK-7c9d1431-7
0.357
MAK-UNK-7c9d1431-5
0.357
MAR-TRE-6a44bbf2-31
0.357
MAK-UNK-7c9d1431-19
0.354