Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2ccc(-c3ccc(O)cc3)s2)CC1 |
MW: | 400.03 |
Fraction sp3: | 0.31 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 77.92 |
cLogP: | 2.19 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Hetero_hetero
AAR-POS-d2a4d1df-34
NIM-UNI-05f93fcc-11
0.803
NIM-UNI-05f93fcc-2
0.734
NIM-UNI-05f93fcc-10
0.731
NIM-UNI-05f93fcc-15
0.731
NIM-UNI-310206f0-69
0.723
NIM-UNI-310206f0-67
0.652
NIM-UNI-05f93fcc-7
0.652
NIM-UNI-310206f0-71
0.643
NIM-UNI-05f93fcc-6
0.634
NIM-UNI-05f93fcc-4
0.618
NIM-UNI-05f93fcc-8
0.580
NIM-UNI-05f93fcc-1
0.578
NIM-UNI-05f93fcc-13
0.569
NIM-UNI-05f93fcc-3
0.569
AAR-POS-0daf6b7e-15
0.562
NIM-UNI-05f93fcc-5
0.562
NIM-UNI-05f93fcc-17
0.554
NIM-UNI-05f93fcc-9
0.547
NIM-UNI-310206f0-68
0.532
NIM-UNI-05f93fcc-12
0.512
NIM-UNI-05f93fcc-16
0.506
AAR-POS-d2a4d1df-22
0.471
MAR-TRE-6a44bbf2-52
0.471
LON-WEI-8f408cad-3
0.471
LON-WEI-8f408cad-2
0.464
MAR-TRE-6a44bbf2-4
0.464
AAR-POS-d2a4d1df-32
0.464
DRR-IMP-dff87f5e-4
0.463
MAT-POS-ee51dedd-2
0.449
AAR-POS-d2a4d1df-27
0.449
MAR-LAB-efb042c5-5
0.449
MAR-TRE-6a44bbf2-68
0.449
NIM-UNI-310206f0-70
0.446
MAK-UNK-c74072e5-6
0.446
SAD-SAT-f2e2579e-3
0.438
DRR-IMP-dff87f5e-3
0.435
AAR-POS-d2a4d1df-44
0.435
MAK-UNK-e05327b2-8
0.425
DRR-IMP-dff87f5e-8
0.425
MAK-UNK-7c9d1431-9
0.420
MAR-TRE-6a44bbf2-21
0.420
BEN-DND-03406596-10
0.417
LON-WEI-8f408cad-4
0.417
MAR-TRE-6a44bbf2-18
0.417
AAR-POS-d2a4d1df-23
0.417
MAK-UNK-7c9d1431-6
0.411
KAY-MCD-d0fe5261-1
0.408
MAR-TRE-6a44bbf2-58
0.408
SAD-SAT-3a925b8b-9
0.408
MAK-UNK-d4768348-4
0.408
SAD-SAT-3a925b8b-2
0.408
PEI-IMP-ca0b2813-2
0.408
DRR-IMP-db50bf6e-5
0.408
DRR-IMP-dff87f5e-1
0.408
DRR-IMP-dff87f5e-7
0.408
SAD-SAT-3a925b8b-7
0.405
MAK-UNK-7c9d1431-12
0.403
JAY-UNK-11f5bdbd-1
0.403
MAK-UNK-7c9d1431-13
0.403
MAR-TRE-6a44bbf2-78
0.403
BEN-DND-76ad4ac9-13
0.403
BEN-DND-03406596-5
0.403
BAP-BUY-55f8bcae-1
0.403
RHE-UNK-eb059eb9-1
0.400
MAR-TRE-6a44bbf2-13
0.400
AAR-POS-0daf6b7e-3
0.400
WAR-XCH-79d12f6e-6
0.400
AAR-POS-d2a4d1df-36
0.400
SAD-SAT-f2e2579e-9
0.398
MAK-UNK-7c9d1431-4
0.397
TAT-ENA-80bfd3e5-25
0.397
MAK-UNK-d4768348-3
0.397
MAK-UNK-7c9d1431-22
0.395
SAD-SAT-bc31ec01-5
0.394
MAR-TRE-6a44bbf2-26
0.392
PEI-IMP-ca0b2813-1
0.392
DRR-IMP-dff87f5e-5
0.392
AAR-POS-d2a4d1df-34
0.392
MAR-TRE-6a44bbf2-8
0.392
MAK-UNK-c74072e5-8
0.392
MAK-UNK-7c9d1431-17
0.392
MAK-UNK-7c9d1431-8
0.392
DRR-IMP-dff87f5e-6
0.392
DRR-IMP-dff87f5e-9
0.392
TAT-ENA-80bfd3e5-43
0.390
MAR-TRE-6a44bbf2-65
0.390
MAK-UNK-7c9d1431-11
0.390
MAR-TRE-6a44bbf2-7
0.390
AAR-POS-d2a4d1df-37
0.390
MAK-UNK-d4768348-1
0.389
ABB-MCD-f8003a30-1
0.387
MAK-UNK-7c9d1431-10
0.387
MAR-TRE-6a44bbf2-32
0.387
BEN-DND-03406596-2
0.385
BEN-DND-76ad4ac9-12
0.385
DRR-IMP-db50bf6e-4
0.385
SAD-SAT-3a925b8b-6
0.384
SAD-SAT-3a925b8b-3
0.384
MAK-UNK-d4768348-5
0.384
MAK-UNK-d4768348-8
0.384