Molecular Properties | |
SMILES: | NS(=O)(=O)N1CCOC(c2cccc(N3CCC(O)CC3)c2)C1 |
MW: | 341.433 |
Fraction sp3: | 0.6 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 96.1 |
cLogP: | 0.224500000000001 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAK-UNK-c8c8f7e2-27
0.296
WAR-XCH-b72a1bbc-7
0.268
HAR-NEW-e34cb1ae-8
0.264
WAR-XCH-b6889685-51
0.263
BAR-COM-0f94fc3d-33
0.263
WAR-XCH-b72a1bbc-18
0.262
IND-SYN-6c8299e8-12
0.255
WAR-XCH-b6889685-8
0.247
WAR-XCH-b72a1bbc-47
0.245
WAR-XCH-b6889685-6
0.245
WAR-XCH-b72a1bbc-11
0.244
WAR-XCH-b72a1bbc-14
0.244
WAR-XCH-b72a1bbc-9
0.244
MAK-UNK-1cb0e944-9
0.242
WAR-XCH-b6889685-46
0.242
WAR-XCH-b72a1bbc-10
0.241
WAR-XCH-b6889685-27
0.239
WAR-XCH-b72a1bbc-42
0.239
MAK-UNK-c8c8f7e2-22
0.239
MAK-UNK-c8c8f7e2-24
0.239
WAR-XCH-b72a1bbc-15
0.238
WAR-XCH-b72a1bbc-13
0.238
WIL-NOV-649f4ed0-1
0.237
MAK-UNK-c8c8f7e2-23
0.236
WAR-XCH-b72a1bbc-12
0.235
WAR-XCH-b72a1bbc-26
0.235
WAR-XCH-b72a1bbc-16
0.235
BAR-COM-4e090d3a-58
0.235
WAR-XCH-b6889685-10
0.234
WAR-XCH-b72a1bbc-25
0.231
WAR-XCH-b6889685-29
0.230
MAR-TRE-6a44bbf2-39
0.230
AAR-POS-d2a4d1df-33
0.230
WAR-XCH-b6889685-7
0.229
WIL-NOV-649f4ed0-2
0.229
WIL-NOV-649f4ed0-5
0.229
WAR-XCH-b6889685-23
0.229
WAR-XCH-b6889685-58
0.228
JOK-SYG-8934678c-1
0.228
WAR-XCH-b6889685-45
0.228
MAR-TRE-dab8f6ea-15
0.228
NAU-LAT-56d5284e-1
0.228
MAK-UNK-acefcb18-25
0.227
WAR-XCH-b6889685-44
0.226
ANT-DIA-3c79be55-5
0.226
PAT-UNK-b2d83456-3
0.225
WAR-XCH-b6889685-60
0.223
WAR-XCH-b6889685-31
0.222
WAR-XCH-b6889685-33
0.222
WAR-XCH-b6889685-3
0.221
NAU-LAT-42d4957e-3
0.221
WAR-XCH-b6889685-18
0.221
TRY-UNI-1fd04853-4
0.221
WAR-XCH-b72a1bbc-6
0.221
WAR-XCH-b72a1bbc-5
0.221
WAR-XCH-b72a1bbc-28
0.220
MIC-UNK-c5a20098-1
0.220
WAR-XCH-b6889685-30
0.220
WAR-XCH-b6889685-62
0.220
WAR-XCH-b6889685-53
0.220
WAR-XCH-b72a1bbc-22
0.219
NAU-LAT-56d5284e-4
0.219
MAR-TRE-dab8f6ea-49
0.219
WAR-XCH-b6889685-16
0.219
WAR-XCH-b6889685-17
0.219
WAR-XCH-b6889685-28
0.219
WAR-XCH-b6889685-55
0.218
NIM-UNI-43fe0159-2
0.218
WAR-XCH-b6889685-37
0.218
TAT-ENA-80bfd3e5-27
0.218
WAR-XCH-b6889685-36
0.218
WAR-XCH-b6889685-54
0.217
SAD-SAT-65574d3f-9
0.217
WAR-XCH-b72a1bbc-45
0.216
WAR-XCH-b72a1bbc-46
0.216
MAT-POS-162a9720-2
0.216
NIL-NON-a189c016-1
0.216
MAK-UNK-1cb0e944-2
0.215
MAK-UNK-5e88aa6a-4
0.215
WAR-XCH-b72a1bbc-23
0.214
SAD-SAT-5b1897b2-4
0.214
WAR-XCH-b6889685-49
0.214
MAR-TRE-dab8f6ea-28
0.214
WAR-XCH-b6889685-11
0.212
WAR-XCH-b6889685-61
0.212
WAR-XCH-b6889685-34
0.212
WAR-XCH-b6889685-25
0.211
WAR-XCH-b6889685-26
0.211
WAR-XCH-b72a1bbc-1
0.211
WAR-XCH-b72a1bbc-8
0.211
SAD-SAT-1f400d17-3
0.210
WAR-XCH-b6889685-50
0.210
MAK-UNK-e4a48a85-7
0.210
WAR-XCH-b6889685-20
0.209
MAK-UNK-acefcb18-27
0.209
WAR-XCH-b6889685-59
0.209
JAG-UCB-ef2c0e8e-8
0.209
MAK-UNK-5e88aa6a-6
0.209
JAN-GHE-1d98ec1c-2
0.209
WAR-XCH-b72a1bbc-17
0.209