Molecular Properties | |
SMILES: | O=C(CCl)N1CCCN(S(=O)(=O)c2cccc(F)c2)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
LON-WEI-8f408cad-4
0.800
AAR-POS-d2a4d1df-23
0.800
MAR-TRE-6a44bbf2-18
0.800
DAN-MCD-50ec7d1f-1
0.650
BEN-DND-76ad4ac9-12
0.615
IND-SYN-6c8299e8-2
0.606
BEN-DND-76ad4ac9-10
0.603
MAK-UNK-6435e6c2-5
0.583
BEN-DND-76ad4ac9-11
0.582
BEN-DND-76ad4ac9-6
0.571
MAK-UNK-10dfa458-29
0.562
ABB-MCD-f8003a30-1
0.554
MAR-TRE-6a44bbf2-32
0.554
MAR-TRE-6a44bbf2-65
0.552
TAT-ENA-80bfd3e5-43
0.552
MAK-UNK-7c9d1431-11
0.552
DAN-MCD-5c762fbe-1
0.547
MAK-UNK-10dfa458-5
0.547
BEN-DND-76ad4ac9-13
0.544
IND-SYN-6c8299e8-7
0.542
TAT-ENA-80bfd3e5-25
0.536
MAK-UNK-7c9d1431-4
0.536
PEI-IMP-ca0b2813-3
0.536
MAK-UNK-7c9d1431-9
0.532
MAR-TRE-6a44bbf2-21
0.532
MAK-UNK-7c9d1431-10
0.530
MAC-MCD-4707377b-1
0.529
MAR-TRE-6a44bbf2-58
0.516
KAY-MCD-d0fe5261-1
0.516
MAK-UNK-7c9d1431-8
0.493
MAR-TRE-6a44bbf2-26
0.493
MAK-UNK-7c9d1431-2
0.486
MAR-TRE-6a44bbf2-36
0.486
LON-WEI-8f408cad-2
0.485
MAR-TRE-6a44bbf2-4
0.485
AAR-POS-d2a4d1df-32
0.485
BEN-DND-76ad4ac9-9
0.479
BEN-DND-76ad4ac9-7
0.478
MAK-UNK-7c9d1431-3
0.472
PEI-IMP-ca0b2813-1
0.471
MAR-TRE-6a44bbf2-8
0.471
AAR-POS-d2a4d1df-34
0.471
MAK-UNK-7c9d1431-7
0.466
MAK-UNK-7c9d1431-5
0.466
MAR-TRE-6a44bbf2-49
0.466
MAR-TRE-6a44bbf2-31
0.466
MAK-UNK-7c9d1431-19
0.465
SAD-SAT-3a925b8b-3
0.463
MAR-TRE-6a44bbf2-38
0.459
MAK-UNK-3f402c2b-2
0.459
MAK-UNK-7c9d1431-1
0.459
AAR-POS-d2a4d1df-44
0.455
SAD-SAT-bc31ec01-5
0.455
MAK-UNK-7c9d1431-17
0.449
MAR-LAB-efb042c5-5
0.448
MAT-POS-ee51dedd-2
0.448
AAR-POS-d2a4d1df-27
0.448
PEI-IMP-ca0b2813-2
0.448
SAD-SAT-3a925b8b-2
0.448
MAR-TRE-6a44bbf2-68
0.448
KEN-MCD-6084b33e-1
0.444
SAD-SAT-9a6c5cf3-2
0.444
SAD-SAT-f2e2579e-2
0.443
SAD-SAT-bc31ec01-4
0.443
MAK-UNK-7c9d1431-12
0.441
MAR-TRE-6a44bbf2-78
0.441
MAK-UNK-7c9d1431-13
0.441
ABB-MCD-f549d731-1
0.436
MAK-UNK-902cc841-7
0.434
MAK-UNK-7c9d1431-22
0.431
MAK-UNK-7c9d1431-6
0.429
MAK-UNK-c74072e5-8
0.429
MAK-UNK-7c9d1431-30
0.427
MAR-TRE-6a44bbf2-45
0.427
MAR-TRE-6a44bbf2-52
0.426
AAR-POS-d2a4d1df-22
0.426
LON-WEI-8f408cad-3
0.426
MAK-UNK-902cc841-8
0.424
MAK-UNK-c74072e5-9
0.422
SAD-SAT-3a925b8b-6
0.420
MIK-MCD-8542a490-1
0.419
MAR-TRE-6a44bbf2-13
0.417
SAD-SAT-f2e2579e-8
0.417
AAR-POS-0daf6b7e-3
0.417
WAR-XCH-79d12f6e-6
0.417
AAR-POS-d2a4d1df-36
0.417
ZAC-MCD-b48cf8fd-1
0.412
MAK-UNK-69bf97dd-1
0.412
KAY-MCD-59dc2eb3-1
0.411
SAD-SAT-bc31ec01-10
0.410
BEN-DND-76ad4ac9-8
0.408
AAR-POS-0daf6b7e-15
0.406
SAD-SAT-3a925b8b-9
0.406
MAK-UNK-d4768348-1
0.406
MAK-UNK-d4768348-4
0.406
AAR-POS-d2a4d1df-37
0.405
MAR-TRE-6a44bbf2-7
0.405
MAK-UNK-d4768348-5
0.400
MAK-UNK-d4768348-8
0.400
NIM-UNI-05f93fcc-1
0.400