Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2ccncc2)CC1 |
MW: | 303.04 |
Fraction sp3: | 0.45 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 70.58 |
cLogP: | 0.15 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAK-UNK-7c9d1431-9
0.654
MAR-TRE-6a44bbf2-21
0.654
AAR-POS-d2a4d1df-44
0.642
MAR-TRE-6a44bbf2-68
0.630
MAR-TRE-6a44bbf2-58
0.630
AAR-POS-d2a4d1df-27
0.630
MAR-LAB-efb042c5-5
0.630
KAY-MCD-d0fe5261-1
0.630
PEI-IMP-ca0b2813-1
0.625
MAR-TRE-6a44bbf2-78
0.618
MAK-UNK-7c9d1431-13
0.618
SAD-SAT-3a925b8b-2
0.600
MAK-UNK-c74072e5-8
0.596
MAK-UNK-7c9d1431-6
0.596
MAK-UNK-7c9d1431-17
0.596
MAK-UNK-d4768348-4
0.571
MAT-POS-ee51dedd-2
0.571
MAK-UNK-7c9d1431-8
0.569
MAR-TRE-6a44bbf2-26
0.569
MAK-UNK-7c9d1431-22
0.567
SAD-SAT-bc31ec01-5
0.554
AAR-POS-d2a4d1df-23
0.552
LON-WEI-8f408cad-4
0.552
MAR-TRE-6a44bbf2-18
0.552
NIM-UNI-310206f0-69
0.538
ABB-MCD-f8003a30-1
0.533
MAK-UNK-7c9d1431-10
0.533
MAR-TRE-6a44bbf2-32
0.533
MAR-TRE-6a44bbf2-65
0.532
MAK-UNK-7c9d1431-19
0.532
TAT-ENA-80bfd3e5-43
0.532
MAK-UNK-7c9d1431-11
0.532
LON-WEI-8f408cad-3
0.517
AAR-POS-d2a4d1df-22
0.517
MAR-TRE-6a44bbf2-52
0.517
MAK-UNK-d4768348-5
0.508
MAK-UNK-d4768348-8
0.508
SAD-SAT-3a925b8b-3
0.508
SAD-SAT-bc31ec01-4
0.508
MAK-UNK-d4768348-3
0.500
MAK-UNK-d4768348-7
0.500
IND-SYN-6c8299e8-2
0.492
MAK-UNK-7c9d1431-3
0.492
PEI-IMP-ca0b2813-3
0.492
TAT-ENA-80bfd3e5-25
0.492
MAK-UNK-7c9d1431-4
0.492
AAR-POS-0daf6b7e-15
0.492
MAK-UNK-d4768348-1
0.492
SAD-SAT-3a925b8b-9
0.492
MAK-UNK-7c9d1431-5
0.485
MAK-UNK-7c9d1431-7
0.485
MAR-TRE-6a44bbf2-49
0.485
MAR-TRE-6a44bbf2-31
0.485
LON-WEI-8f408cad-2
0.483
MAR-TRE-6a44bbf2-4
0.483
MAK-UNK-7c9d1431-12
0.483
NIM-UNI-05f93fcc-1
0.483
AAR-POS-d2a4d1df-32
0.483
MAK-UNK-7c9d1431-1
0.478
MAR-TRE-6a44bbf2-38
0.478
MAR-TRE-6a44bbf2-8
0.468
AAR-POS-d2a4d1df-34
0.468
MAR-TRE-6a44bbf2-36
0.464
MAK-UNK-7c9d1431-2
0.464
MAK-UNK-7c9d1431-30
0.463
MAR-TRE-6a44bbf2-45
0.463
MAK-UNK-d4768348-9
0.462
SAD-SAT-3a925b8b-7
0.460
SAD-SAT-3a925b8b-6
0.459
MAK-UNK-d4768348-2
0.459
SAD-SAT-f2e2579e-5
0.457
MED-COV-4280ac29-5
0.453
RHE-UNK-eb059eb9-1
0.453
AAR-POS-d2a4d1df-36
0.453
WAR-XCH-79d12f6e-6
0.453
AAR-POS-0daf6b7e-3
0.453
MAR-TRE-6a44bbf2-13
0.453
MAR-TRE-6a44bbf2-24
0.452
BEN-DND-76ad4ac9-14
0.448
PEI-IMP-ca0b2813-4
0.444
NIM-UNI-05f93fcc-6
0.444
SAD-SAT-9a6c5cf3-5
0.444
NIM-UNI-05f93fcc-13
0.443
MAR-TRE-6a44bbf2-7
0.439
AAR-POS-d2a4d1df-37
0.439
SAD-SAT-f2e2579e-10
0.438
NIM-UNI-310206f0-67
0.437
BEN-DND-76ad4ac9-13
0.433
NIM-UNI-05f93fcc-9
0.425
NIM-UNI-05f93fcc-11
0.420
MAK-UNK-c74072e5-9
0.416
SAD-SAT-9a6c5cf3-9
0.416
SAD-SAT-bc31ec01-8
0.414
NIM-UNI-05f93fcc-2
0.414
MAR-TRE-6a44bbf2-28
0.413
MAK-UNK-7c9d1431-23
0.413
BEN-DND-76ad4ac9-12
0.412
NIM-UNI-310206f0-1
0.412
NIM-UNI-05f93fcc-17
0.411
NIM-UNI-310206f0-71
0.411