Molecular Properties | |
SMILES: | O=S(=O)(NCCc1ccccc1)c1c(F)cccc1CNCc1ccco1 |
MW: | 388.13 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 71.34 |
cLogP: | 3.23 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Hetero_hetero
AAR-POS-d2a4d1df-1
SUG-SAT-4be79373-5
0.566
SUG-SAT-4be79373-2
0.427
SUG-SAT-4be79373-3
0.409
SUG-SAT-4be79373-4
0.409
MIH-UNI-6b9ca91a-6
0.362
RAF-UNK-26121f85-10
0.355
AAR-POS-0daf6b7e-36
0.354
AAR-POS-d2a4d1df-1
0.347
MAK-UNK-07311286-1
0.315
MAK-UNK-07311286-2
0.315
MAK-UNK-27459e11-3
0.312
MAK-UNK-27459e11-4
0.308
MAK-UNK-27459e11-2
0.305
IND-SYN-8bc6954a-2
0.302
MAK-UNK-8145c7a0-5
0.301
MAK-UNK-27459e11-1
0.293
RAF-UNK-26121f85-1
0.288
DUN-NEW-f8ce3686-23
0.287
MAK-UNK-31051d4e-1
0.287
MAK-UNK-31051d4e-3
0.284
MAK-UNK-8145c7a0-2
0.283
HUB-UNK-9845d277-13
0.280
MAK-UNK-c44f4be0-2
0.277
MAK-UNK-31051d4e-2
0.272
MAK-UNK-8145c7a0-6
0.271
MAT-POS-b5746674-61
0.271
WAR-XCH-79d12f6e-3
0.271
MAK-UNK-b2c98f02-4
0.269
MAK-UNK-8145c7a0-7
0.269
MAK-UNK-c44f4be0-1
0.265
MAK-UNK-194150d3-10
0.265
MAK-UNK-b2c98f02-3
0.264
MAK-UNK-8145c7a0-3
0.262
MAK-UNK-b2c98f02-1
0.262
MAK-UNK-b2c98f02-2
0.257
MAK-UNK-194150d3-1
0.255
MAK-UNK-8145c7a0-4
0.255
MAK-UNK-8145c7a0-1
0.250
RAF-UNK-26121f85-8
0.248
HUB-UNK-9845d277-15
0.248
ANT-DIA-b7f58f21-4
0.244
RAF-UNK-26121f85-6
0.242
MAK-UNK-194150d3-6
0.241
BEN-DND-362d364a-1
0.241
MAK-UNK-31051d4e-4
0.240
RAF-UNK-26121f85-3
0.240
MAK-UNK-194150d3-12
0.239
MAK-UNK-c44f4be0-9
0.239
MAR-TRE-fd17a9b8-21
0.237
AAR-UNI-c25c2f1e-35
0.237
MAK-UNK-c44f4be0-7
0.236
MAK-UNK-194150d3-11
0.236
MAR-TRE-799db12b-93
0.235
MAK-UNK-194150d3-5
0.235
MAR-TRE-fd17a9b8-68
0.235
MAK-UNK-b2c98f02-7
0.234
MAK-UNK-194150d3-8
0.234
MAK-UNK-194150d3-3
0.234
HUB-UNK-9845d277-2
0.232
MAK-UNK-31051d4e-6
0.231
MAK-UNK-31051d4e-5
0.231
MAK-UNK-c44f4be0-8
0.230
MAR-TRE-fd17a9b8-82
0.230
ALE-UNK-fca05062-4
0.230
MAK-UNK-b2c98f02-9
0.227
MAK-UNK-b2c98f02-5
0.227
MAK-UNK-c44f4be0-5
0.227
LON-WEI-4d77710c-39
0.226
LON-WEI-5e7d1b3e-39
0.226
MAK-UNK-b2c98f02-8
0.226
MAR-TRE-fd17a9b8-46
0.223
MAR-TRE-fd17a9b8-60
0.223
MAR-TRE-66ac689e-33
0.223
BAR-COM-4e090d3a-19
0.223
MAK-UNK-c44f4be0-6
0.223
MAK-UNK-27459e11-10
0.222
ALP-POS-02c6a514-2
0.222
ALP-POS-b0bc6a46-2
0.222
MAK-UNK-b2c98f02-6
0.222
JOR-WAB-5f511e4e-1
0.220
MAR-TRE-f5c2d31c-89
0.218
SAD-SAT-2fd372d1-2
0.217
ANT-DIA-b7f58f21-3
0.217
DUN-NEW-f8ce3686-25
0.216
MAT-POS-02ae579f-1
0.216
MAR-TRE-fd17a9b8-37
0.214
AAR-UNI-c25c2f1e-78
0.214
MAK-UNK-194150d3-17
0.214
MAR-TRE-2fd8122f-95
0.214
AAR-UNI-c25c2f1e-65
0.214
MAR-TRE-87acfbcc-3
0.214
LON-WEI-5e7d1b3e-44
0.213
LON-WEI-4d77710c-44
0.213
ALE-UNK-fca05062-3
0.213
MAK-UNK-27459e11-9
0.212
MAT-POS-b5746674-8
0.211
MAR-TRE-4b834d9a-50
0.211
MAT-POS-b5746674-112
0.211
CHE-UNK-ae827f53-2
0.210
AAR-UNI-c25c2f1e-71
0.210