Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc(Nc2ccnc(Nc3cncnc3)n2)cc1 |
MW: | 343.09 |
Fraction sp3: | 0.0 |
HBA: | 8 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 135.78 |
cLogP: | 1.4 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-85681e92-14
0.299
KEI-TRE-fa9ada3e-18
0.293
GAB-REV-70cc3ca5-3
0.291
MAR-TRE-85681e92-24
0.281
WAR-XCH-b72a1bbc-2
0.273
IND-SYN-5e5c1c3e-2
0.271
IND-SYN-a2b2ab0e-1
0.271
GAB-REV-70cc3ca5-20
0.265
WAR-XCH-b72a1bbc-4
0.257
CHR-SOS-70e4c98a-11
0.256
LIZ-THE-6efed59f-3
0.254
MAR-TRE-87acfbcc-44
0.253
WAR-XCH-b6889685-26
0.253
IND-SYN-830dcead-1
0.250
SAD-SAT-f25ee457-8
0.250
WAR-XCH-b72a1bbc-17
0.250
MAR-TRE-2fd8122f-59
0.250
IND-SYN-5e5c1c3e-1
0.250
IND-SYN-a2b2ab0e-2
0.250
IAN-BAS-0ac8c25d-1
0.250
MAR-TRE-85681e92-17
0.247
PED-UNI-292b67d6-1
0.244
MAR-TRE-85681e92-16
0.244
CHA-MCP-85291e1d-2
0.244
MAK-UNK-ed378e62-42
0.243
MAR-TRE-e82e6c98-74
0.241
MAR-TRE-a3327163-68
0.241
CHR-SOS-70e4c98a-2
0.240
CHR-SOS-7098f804-15
0.239
SWA-SYN-59528602-2
0.238
WAR-XCH-b6889685-25
0.238
CHR-SOS-363cfb78-4
0.238
CHR-SOS-7098f804-19
0.237
PET-SGC-d0fd10df-1
0.235
CHR-SOS-1f323c23-12
0.234
EDJ-MED-e58735b6-3
0.233
MAR-TRE-f5c2d31c-72
0.233
MAR-TRE-66ac689e-76
0.231
CHR-SOS-363cfb78-8
0.230
WAR-XCH-b72a1bbc-44
0.230
CHR-SOS-1f323c23-9
0.229
MAR-TRE-e82e6c98-24
0.229
WAR-XCH-b6889685-29
0.229
WAR-XCH-b6889685-35
0.228
WAR-XCH-b6889685-23
0.228
WAR-XCH-b72a1bbc-11
0.228
AAR-POS-d2a4d1df-15
0.226
MAR-TRE-85681e92-92
0.225
WAR-XCH-b72a1bbc-10
0.225
MAT-POS-b5746674-77
0.225
MAR-TRE-2fd8122f-5
0.222
TAM-UNI-c140e31a-12
0.222
CHR-SOS-1f323c23-3
0.222
WAR-XCH-b72a1bbc-15
0.222
CHR-SOS-e960e883-3
0.221
WAR-XCH-b6889685-31
0.221
MAR-TRE-66ac689e-32
0.221
MAR-TRE-2fd8122f-78
0.221
LIZ-THE-6efed59f-1
0.221
VOL-CHA-cc800c76-3
0.220
MAR-TRE-a9136c7b-61
0.220
WAR-XCH-b6889685-24
0.220
SAD-SAT-f25ee457-7
0.219
MAR-TRE-799db12b-26
0.219
MAT-POS-7dfc56d9-1
0.217
MAK-UNK-10dfa458-16
0.217
MAK-UNK-30aad1f1-12
0.217
CHR-SOS-e960e883-2
0.216
MAR-TRE-85681e92-50
0.216
MAR-TRE-85681e92-56
0.216
MAR-TRE-85681e92-31
0.216
MAR-TRE-a9136c7b-64
0.215
TAM-UNI-c140e31a-13
0.214
MAR-TRE-f5c2d31c-80
0.213
WAR-XCH-b72a1bbc-43
0.213
SAD-SAT-65574d3f-2
0.213
MAR-TRE-6a44bbf2-73
0.213
MAR-TRE-799db12b-93
0.213
WAR-XCH-b72a1bbc-38
0.213
CHR-SOS-e960e883-1
0.212
MAR-TRE-c317dd82-65
0.212
KEI-TRE-d5e2018a-97
0.212
MAR-TRE-85681e92-93
0.211
MIH-UNI-3396182e-4
0.211
MAR-TRE-9d18ae8c-29
0.211
WAR-XCH-b6889685-27
0.211
MAR-TRE-f5c2d31c-45
0.211
ROD-LAS-d5538ff9-2
0.211
ASH-UNK-40b46b30-10
0.210
CHR-SOS-e960e883-6
0.210
WAR-XCH-b6889685-34
0.210
TAM-UNI-c140e31a-7
0.210
WAR-XCH-b6889685-57
0.209
MAR-TRE-9d18ae8c-15
0.209
MAR-TRE-be9ff7d2-58
0.209
MAR-TRE-4f781e27-62
0.209
WAR-XCH-b6889685-48
0.209
CHA-MCP-85291e1d-4
0.209
MAR-TRE-2fd8122f-37
0.209
LIZ-THE-6efed59f-2
0.208