Molecular Properties | |
SMILES: | O=C(NS(=O)(=O)N1CCN(C(=O)CCl)CC1)c1ncccn1 |
MW: | 347.784 |
Fraction sp3: | 0.45 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 112.57 |
cLogP: | -1.1658 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Hetero_hetero
AAR-POS-d2a4d1df-4
SWA-SYN-d2e6fa14-6
1.000
SWA-SYN-6423ea73-5
0.508
SWA-SYN-d2e6fa14-5
0.508
SWA-SYN-d2e6fa14-2
0.463
SWA-SYN-6423ea73-2
0.463
PEI-IMP-ca0b2813-1
0.433
VIK-SYN-bf9c9ac8-7
0.426
MAR-TRE-6a44bbf2-87
0.426
VIK-SYN-9a3d118a-4
0.426
PEI-IMP-ca0b2813-2
0.409
SAD-SAT-3a925b8b-3
0.403
MAK-UNK-7c9d1431-9
0.400
MAR-TRE-6a44bbf2-21
0.400
SAD-SAT-3a925b8b-9
0.388
AAR-POS-d2a4d1df-22
0.388
MAR-TRE-6a44bbf2-52
0.388
MAK-UNK-d4768348-4
0.388
LON-WEI-8f408cad-3
0.388
MAK-UNK-d4768348-5
0.382
MAK-UNK-7c9d1431-12
0.382
LON-WEI-8f408cad-2
0.382
MAR-TRE-6a44bbf2-28
0.382
MAK-UNK-7c9d1431-23
0.382
AAR-POS-d2a4d1df-32
0.382
MAR-TRE-6a44bbf2-4
0.382
SAD-SAT-5b1897b2-3
0.379
MAR-TRE-6a44bbf2-18
0.377
MAK-UNK-d4768348-3
0.377
LON-WEI-8f408cad-4
0.377
AAR-POS-d2a4d1df-23
0.377
SAD-SAT-bc31ec01-5
0.373
AAR-POS-d2a4d1df-44
0.373
MAK-UNK-7c9d1431-27
0.371
MAR-TRE-6a44bbf2-8
0.371
AAR-POS-d2a4d1df-34
0.371
MAR-TRE-6a44bbf2-7
0.370
AAR-POS-d2a4d1df-37
0.370
KAY-MCD-d0fe5261-1
0.368
MAK-UNK-d4768348-1
0.368
MAT-POS-ee51dedd-2
0.368
MAR-TRE-6a44bbf2-68
0.368
SAD-SAT-3a925b8b-2
0.368
AAR-POS-0daf6b7e-15
0.368
MAR-LAB-efb042c5-5
0.368
MAR-TRE-6a44bbf2-58
0.368
AAR-POS-d2a4d1df-27
0.368
SAD-SAT-bc31ec01-4
0.366
SAD-SAT-3a925b8b-7
0.366
MAK-UNK-d4768348-2
0.362
MAK-UNK-d4768348-8
0.362
MAR-TRE-6a44bbf2-78
0.362
MAK-UNK-7c9d1431-13
0.362
SAD-SAT-3a925b8b-6
0.362
NIM-UNI-05f93fcc-1
0.362
WAR-XCH-79d12f6e-6
0.361
AAR-POS-0daf6b7e-3
0.361
MAR-TRE-6a44bbf2-13
0.361
MAK-UNK-7c9d1431-3
0.360
SAD-SAT-1b030f84-9
0.360
NIM-UNI-05f93fcc-13
0.359
MAK-UNK-d4768348-7
0.357
MAR-TRE-6a44bbf2-24
0.357
MAK-UNK-7c9d1431-22
0.356
SAD-SAT-5b1897b2-4
0.353
MAK-UNK-7c9d1431-8
0.352
MAK-UNK-7c9d1431-6
0.352
MAK-UNK-7c9d1431-17
0.352
MAK-UNK-c74072e5-8
0.352
MAR-TRE-6a44bbf2-26
0.352
MAR-TRE-6a44bbf2-65
0.351
TAT-ENA-80bfd3e5-43
0.351
MAK-UNK-7c9d1431-11
0.351
STU-CHA-464c0256-1
0.349
MAK-UNK-7c9d1431-10
0.347
MAR-TRE-6a44bbf2-32
0.347
ABB-MCD-f8003a30-1
0.347
NIM-UNI-05f93fcc-14
0.346
NIM-UNI-310206f0-5
0.346
NIM-UNI-310206f0-69
0.346
PEI-IMP-ca0b2813-4
0.346
NIM-UNI-05f93fcc-6
0.346
NIM-UNI-05f93fcc-9
0.346
AAR-POS-d2a4d1df-36
0.342
TAT-ENA-80bfd3e5-25
0.342
PEI-IMP-ca0b2813-3
0.342
MAK-UNK-7c9d1431-4
0.342
IND-SYN-6c8299e8-2
0.342
MAK-UNK-704ed37c-12
0.339
SAD-SAT-65574d3f-9
0.338
SAD-SAT-5b1897b2-1
0.338
MAR-TRE-6a44bbf2-31
0.338
MAK-UNK-7c9d1431-5
0.338
MAK-UNK-7c9d1431-7
0.338
MAR-TRE-6a44bbf2-45
0.338
MAR-TRE-6a44bbf2-49
0.338
MAK-UNK-7c9d1431-30
0.338
STE-KUL-2e0d2e88-3
0.338
NIM-UNI-310206f0-14
0.337
MAK-UNK-d4768348-9
0.333
MAK-UNK-7c9d1431-19
0.333