Molecular Properties | |
SMILES: | O=S(=O)(Cc1nnc(CN2CCC=C(F)C2)s1)NCCc1ccccc1 |
MW: | 396.513 |
Fraction sp3: | 0.41 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 75.19 |
cLogP: | 2.2593 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAK-UNK-8145c7a0-2
0.675
MAK-UNK-8145c7a0-12
0.516
MAK-UNK-8145c7a0-8
0.505
MAK-UNK-8145c7a0-11
0.475
MAK-UNK-8145c7a0-10
0.459
MAK-UNK-8145c7a0-9
0.458
MAK-UNK-8145c7a0-5
0.457
AAR-POS-d2a4d1df-8
0.436
MAK-UNK-ae34c249-3
0.426
MAK-UNK-8145c7a0-3
0.423
MAK-UNK-8145c7a0-6
0.418
MAK-UNK-8145c7a0-4
0.410
MAK-UNK-8145c7a0-7
0.400
MAK-UNK-ae34c249-7
0.390
MAK-UNK-ae34c249-4
0.382
MAK-UNK-27459e11-1
0.362
MAK-UNK-27459e11-3
0.350
MAK-UNK-ae34c249-2
0.348
MAK-UNK-ae34c249-1
0.345
MAK-UNK-31051d4e-1
0.317
AAR-POS-d2a4d1df-1
0.316
MAK-UNK-27459e11-4
0.312
MAK-UNK-31051d4e-6
0.308
MAK-UNK-31051d4e-5
0.308
MAK-UNK-31051d4e-2
0.301
MAK-UNK-31051d4e-3
0.301
MAK-UNK-27459e11-2
0.294
MIH-UNI-6b9ca91a-6
0.287
DUN-NEW-f8ce3686-23
0.279
NAU-LAT-2fed8305-4
0.275
MAK-UNK-31051d4e-4
0.269
MAK-UNK-c44f4be0-8
0.268
MAK-UNK-b2c98f02-9
0.266
MAK-UNK-194150d3-11
0.264
MAK-UNK-194150d3-14
0.262
MAK-UNK-b2c98f02-7
0.261
MAK-UNK-194150d3-1
0.260
MAK-UNK-b2c98f02-3
0.257
SUG-SAT-4be79373-5
0.255
MAK-UNK-b2c98f02-1
0.255
SUG-SAT-4be79373-3
0.252
MAK-UNK-b2c98f02-8
0.252
SUG-SAT-4be79373-1
0.250
SUG-SAT-4be79373-2
0.250
MAK-UNK-07311286-1
0.250
MAK-UNK-07311286-2
0.250
MAK-UNK-c44f4be0-1
0.248
MAT-POS-ea426761-3
0.248
MAR-TRE-66ac689e-7
0.245
MAK-UNK-c44f4be0-9
0.243
JOH-ILL-98f23d0b-4
0.241
SUG-SAT-4be79373-4
0.241
MAK-UNK-b2c98f02-2
0.239
MAK-UNK-b2c98f02-6
0.239
MAR-TRE-66ac689e-43
0.238
MAK-UNK-c44f4be0-2
0.237
MAT-POS-b5746674-112
0.237
IND-SYN-8bc6954a-2
0.237
SAD-SAT-2fd372d1-2
0.237
ANT-DIA-b7f58f21-4
0.235
MAR-TRE-0fda4e82-52
0.234
MED-COV-4280ac29-8
0.233
MAK-UNK-b2c98f02-5
0.232
MAK-UNK-b2c98f02-4
0.228
JOH-ILL-98f23d0b-3
0.228
MAT-POS-b5746674-8
0.227
MAR-TRE-0fda4e82-1
0.226
DAN-MCD-1a622181-1
0.226
DAN-MCD-9950a804-1
0.226
MAK-UNK-194150d3-13
0.226
NAU-LAT-445f63e5-1
0.226
MAK-UNK-15efde89-1
0.223
BEN-DND-362d364a-1
0.223
JOH-ILL-98f23d0b-1
0.222
ALE-UNK-fca05062-4
0.222
MAK-UNK-c44f4be0-5
0.221
MED-COV-4280ac29-25
0.221
MAK-UNK-27459e11-16
0.221
MAK-UNK-194150d3-17
0.220
MAK-UNK-c44f4be0-7
0.219
MAR-TRE-9d18ae8c-50
0.219
MAK-UNK-194150d3-4
0.219
MAK-UNK-194150d3-12
0.219
MAK-UNK-c44f4be0-6
0.217
MAK-UNK-ec98eaf6-2
0.216
MAK-UNK-194150d3-5
0.216
MAR-TRE-66ac689e-83
0.216
DAN-MCD-34fd4f29-1
0.216
MAK-UNK-10dfa458-39
0.214
MAK-UNK-194150d3-10
0.213
MAK-UNK-7c9d1431-23
0.213
MAR-TRE-6a44bbf2-28
0.213
JOH-IMS-65d2d0b5-1
0.212
MAR-TRE-f6f5f473-7
0.211
BEN-DND-76ad4ac9-9
0.210
BEN-DND-03406596-1
0.210
NAU-LAT-f723e322-5
0.209
ELE-IMP-dfb36048-3
0.209
MAK-UNK-ec98eaf6-48
0.209
WIL-LEE-23e8b574-1
0.209