Molecular Properties | |
SMILES: | O=C(CCl)N1CCCN(S(=O)(=O)c2ccccc2F)CC1 |
MW: | 334.06 |
Fraction sp3: | 0.46 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 57.69 |
cLogP: | 1.29 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Hetero_hetero
AAR-POS-d2a4d1df-1
AAR-POS-d2a4d1df-34
0.818
MAR-TRE-6a44bbf2-8
0.818
BEN-DND-76ad4ac9-12
0.641
SAD-SAT-9a6c5cf3-10
0.629
BEN-DND-76ad4ac9-10
0.627
BEN-DND-76ad4ac9-14
0.582
BEN-DND-76ad4ac9-13
0.544
MAK-UNK-7c9d1431-12
0.531
AAR-POS-d2a4d1df-32
0.508
MAR-TRE-6a44bbf2-4
0.508
LON-WEI-8f408cad-2
0.508
SAD-SAT-bc31ec01-10
0.500
AAR-POS-d2a4d1df-37
0.486
MAR-TRE-6a44bbf2-7
0.486
MAR-TRE-6a44bbf2-21
0.484
MAK-UNK-7c9d1431-9
0.484
BEN-DND-76ad4ac9-9
0.479
ABB-MCD-f8003a30-1
0.464
MAR-TRE-6a44bbf2-32
0.464
AAR-POS-d2a4d1df-23
0.456
MAR-TRE-6a44bbf2-18
0.456
LON-WEI-8f408cad-4
0.456
PEI-IMP-ca0b2813-4
0.449
MAR-TRE-6a44bbf2-58
0.448
KAY-MCD-d0fe5261-1
0.448
MAK-UNK-3f402c2b-11
0.446
MAK-UNK-7c9d1431-10
0.443
AAR-POS-d2a4d1df-44
0.433
IND-SYN-6c8299e8-2
0.432
BEN-DND-76ad4ac9-8
0.429
LON-WEI-8f408cad-3
0.426
AAR-POS-d2a4d1df-22
0.426
MAR-TRE-6a44bbf2-52
0.426
MAR-TRE-6a44bbf2-65
0.425
TAT-ENA-80bfd3e5-43
0.425
MAK-UNK-7c9d1431-11
0.425
SAD-SAT-3a925b8b-3
0.420
SAD-SAT-3a925b8b-6
0.420
AAR-POS-0daf6b7e-3
0.417
WAR-XCH-79d12f6e-6
0.417
MAR-TRE-6a44bbf2-13
0.417
MAK-UNK-c74072e5-4
0.417
AAR-POS-d2a4d1df-36
0.417
MAT-POS-590ac91e-70
0.414
PEI-IMP-ca0b2813-3
0.413
SAD-SAT-f2e2579e-6
0.410
MAK-UNK-7c9d1431-17
0.408
PEI-IMP-ca0b2813-1
0.408
MAK-UNK-7c9d1431-30
0.408
MAR-TRE-6a44bbf2-45
0.408
MAT-POS-ee51dedd-2
0.406
MAR-LAB-efb042c5-5
0.406
AAR-POS-d2a4d1df-27
0.406
MAR-TRE-6a44bbf2-68
0.406
PEI-IMP-ca0b2813-2
0.406
SAD-SAT-3a925b8b-2
0.406
AAR-POS-0daf6b7e-15
0.406
SAD-SAT-5b1897b2-10
0.403
MAR-TRE-6a44bbf2-78
0.400
NIM-UNI-05f93fcc-1
0.400
MAK-UNK-7c9d1431-13
0.400
SAD-SAT-f2e2579e-8
0.400
SAD-SAT-f2e2579e-1
0.398
MAK-UNK-69bf97dd-8
0.398
MAK-UNK-7c9d1431-4
0.395
MAK-UNK-7c9d1431-3
0.395
TAT-ENA-80bfd3e5-25
0.395
NAU-LAT-f723e322-5
0.393
SAD-SAT-9a6c5cf3-2
0.393
NIM-UNI-05f93fcc-3
0.392
SAD-SAT-bc31ec01-5
0.391
MAR-TRE-6a44bbf2-26
0.389
MAK-UNK-7c9d1431-27
0.389
MAK-UNK-7c9d1431-6
0.389
MAK-UNK-7c9d1431-8
0.389
MAK-UNK-c74072e5-8
0.389
MAK-UNK-69bf97dd-7
0.388
SAD-SAT-f2e2579e-4
0.388
MAK-UNK-d4768348-1
0.386
SAD-SAT-3a925b8b-9
0.386
MAK-UNK-d4768348-4
0.386
NIM-UNI-05f93fcc-2
0.385
SAD-SAT-bc31ec01-4
0.384
MAK-UNK-d4768348-5
0.380
MAK-UNK-d4768348-8
0.380
MAR-TRE-6a44bbf2-28
0.380
MAK-UNK-d4768348-2
0.380
MAK-UNK-7c9d1431-23
0.380
SAD-SAT-f2e2579e-9
0.379
MAR-TRE-6a44bbf2-36
0.375
MAK-UNK-d4768348-7
0.375
MAK-UNK-d4768348-3
0.375
MAK-UNK-7c9d1431-2
0.375
MAK-UNK-7c9d1431-22
0.373
MED-COV-4280ac29-5
0.372
MAK-UNK-7c9d1431-7
0.372
MAR-TRE-6a44bbf2-31
0.372
MAK-UNK-7c9d1431-5
0.372
MAR-TRE-6a44bbf2-49
0.372
NIM-UNI-05f93fcc-5
0.370