Molecular Properties | |
SMILES: | O=S(=O)(NCCc1ccccc1)c1cc(F)cc(CNCc2ccco2)c1 |
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-4be79373-1
0.566
SUG-SAT-4be79373-3
0.466
SUG-SAT-4be79373-2
0.453
SUG-SAT-4be79373-4
0.449
MIH-UNI-6b9ca91a-6
0.446
AAR-POS-0daf6b7e-36
0.438
MAK-UNK-07311286-2
0.353
AAR-POS-d2a4d1df-1
0.338
MAK-UNK-07311286-1
0.337
DUN-NEW-f8ce3686-23
0.320
RAF-UNK-26121f85-3
0.319
MAK-UNK-27459e11-4
0.316
MAK-UNK-27459e11-2
0.312
MAK-UNK-b2c98f02-4
0.311
MAK-UNK-8145c7a0-5
0.307
MAK-UNK-27459e11-3
0.304
MAK-UNK-31051d4e-2
0.303
MAK-UNK-27459e11-1
0.300
MAT-POS-b5746674-61
0.290
MAK-UNK-8145c7a0-2
0.288
MAK-UNK-194150d3-1
0.287
MAR-TRE-fd17a9b8-82
0.287
MAK-UNK-31051d4e-1
0.280
MAR-TRE-fd17a9b8-46
0.278
MAR-TRE-fd17a9b8-60
0.278
MAK-UNK-31051d4e-3
0.277
MAK-UNK-194150d3-10
0.272
MAK-UNK-b2c98f02-3
0.269
MAR-TRE-fd17a9b8-21
0.269
RAF-UNK-26121f85-10
0.267
MAK-UNK-b2c98f02-1
0.267
MAR-TRE-799db12b-93
0.265
MAK-UNK-194150d3-11
0.265
IND-SYN-8bc6954a-2
0.264
MAK-UNK-8145c7a0-6
0.264
RAF-UNK-26121f85-8
0.263
MAK-UNK-b2c98f02-2
0.262
MAK-UNK-8145c7a0-7
0.262
MAK-UNK-c44f4be0-2
0.259
MAK-UNK-c44f4be0-1
0.259
BEN-DND-362d364a-1
0.257
RAF-UNK-26121f85-6
0.256
MAK-UNK-8145c7a0-1
0.255
MAK-UNK-194150d3-8
0.253
MAR-TRE-2fd8122f-95
0.252
ANT-DIA-b7f58f21-4
0.250
MAK-UNK-31051d4e-5
0.248
HUB-UNK-9845d277-13
0.248
MAK-UNK-194150d3-6
0.247
MAK-UNK-8145c7a0-3
0.243
MAK-UNK-c44f4be0-5
0.243
MAT-POS-02ae579f-1
0.241
MAR-TRE-fd17a9b8-68
0.240
MAK-UNK-194150d3-3
0.239
MAK-UNK-b2c98f02-7
0.239
HUB-UNK-9845d277-2
0.237
ALP-POS-02c6a514-2
0.237
ALP-POS-b0bc6a46-2
0.237
MAK-UNK-8145c7a0-4
0.236
MAK-UNK-31051d4e-6
0.236
ALE-UNK-fca05062-4
0.235
MAK-UNK-c44f4be0-8
0.234
MAK-UNK-31051d4e-4
0.233
MAK-UNK-b2c98f02-5
0.231
MAK-UNK-b2c98f02-9
0.231
MAK-UNK-c44f4be0-9
0.231
MAK-UNK-194150d3-12
0.231
HUB-UNK-9845d277-15
0.231
MAK-UNK-b2c98f02-8
0.230
HUB-UNK-9845d277-1
0.230
RAF-UNK-26121f85-1
0.230
MAK-UNK-c44f4be0-7
0.229
ALP-POS-02c6a514-34
0.228
MAK-UNK-c44f4be0-6
0.227
MAK-UNK-194150d3-5
0.227
MAK-UNK-b2c98f02-6
0.226
JON-UIO-d28d79fe-2
0.224
ALP-POS-02c6a514-19
0.221
ALF-EVA-46063d6e-2
0.220
MAK-UNK-194150d3-17
0.219
JON-UIO-82a15e73-10
0.219
PAU-WEI-d9f77348-1
0.218
ALE-UNK-fca05062-3
0.217
JAG-UCB-ef2c0e8e-5
0.217
AAR-UNI-c25c2f1e-35
0.216
DAR-DIA-48c639f7-1
0.216
MAR-TRE-66ac689e-33
0.216
BAR-COM-4e090d3a-19
0.216
ALF-EVA-46063d6e-4
0.215
MAR-TRE-4b834d9a-50
0.214
CHE-UNK-ae827f53-2
0.214
MAR-TRE-0fda4e82-24
0.213
MAR-TRE-74c6519b-60
0.212
MIC-UNK-8849923c-5
0.212
WIL-UNI-1faa9b10-6
0.212
MAK-UNK-194150d3-14
0.211
MAK-UNK-194150d3-2
0.211
MAK-UNK-194150d3-13
0.211
NAU-LAT-445f63e5-1
0.211
BEN-DND-362d364a-5
0.211