Molecular Properties | |
SMILES: | CS(=O)(=O)NCCc1ccccc1-c1nnc(CN2CCC=C(F)C2)s1 |
MW: | 396.513 |
Fraction sp3: | 0.41 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 75.19 |
cLogP: | 2.3559 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAK-UNK-8145c7a0-12
0.607
MAK-UNK-8145c7a0-11
0.589
MAK-UNK-ae34c249-1
0.481
MAK-UNK-ae34c249-4
0.467
MAK-UNK-8145c7a0-9
0.465
MAK-UNK-8145c7a0-1
0.459
MAK-UNK-8145c7a0-2
0.455
MAK-UNK-8145c7a0-8
0.436
MAK-UNK-ae34c249-3
0.433
AAR-POS-d2a4d1df-8
0.427
MAK-UNK-ae34c249-7
0.398
MAK-UNK-ae34c249-2
0.393
MAK-UNK-27459e11-8
0.307
MAK-UNK-8145c7a0-7
0.306
MAK-UNK-8145c7a0-5
0.303
MAK-UNK-27459e11-7
0.299
ANT-DIA-b7f58f21-3
0.298
MAK-UNK-8145c7a0-6
0.297
MAK-UNK-8145c7a0-4
0.292
ELE-IMP-dfb36048-3
0.290
MAK-UNK-8145c7a0-3
0.288
ELE-IMP-dfb36048-4
0.283
ELE-IMP-dfb36048-5
0.266
NAU-LAT-2fed8305-4
0.262
JOH-ILL-98f23d0b-4
0.256
JAN-GHE-6413aaf8-7
0.254
ROB-UNI-b2e39629-1
0.250
ANT-DIA-b7f58f21-8
0.250
MAK-UNK-27459e11-16
0.250
JOH-ILL-98f23d0b-1
0.248
SIM-DEM-f31d0e65-1
0.245
MAK-UNK-27459e11-15
0.245
SCO-VAN-260d9628-4
0.239
ELE-IMP-dfb36048-2
0.238
DUN-NEW-f8ce3686-10
0.238
CAL-AMP-9edebd8f-1
0.238
AAR-POS-d2a4d1df-1
0.235
ANT-DIA-b7f58f21-9
0.234
PET-SGC-0ecb2cfe-1
0.232
WAR-XCH-6eb0722e-5
0.232
WAR-XCH-6eb0722e-4
0.230
JOH-ILL-98f23d0b-3
0.229
WAR-XCH-6eb0722e-1
0.228
HUB-UNK-9845d277-2
0.226
MAR-UNI-9ca61fdc-1
0.225
PET-SGC-85e821e4-2
0.225
SIM-DEM-5935bd74-1
0.225
ANT-DIA-b7f58f21-5
0.225
JOH-IMS-65d2d0b5-1
0.224
ROB-UNI-b2e39629-10
0.223
SIM-DEM-265738e1-1
0.222
TAM-UNI-c140e31a-15
0.222
PET-SGC-f818f65b-1
0.222
SAM-UNK-903735bd-2
0.222
ANT-DIA-b7f58f21-7
0.222
ELE-IMP-dfb36048-1
0.222
SAM-UNK-83e03154-2
0.221
ANT-DIA-b7f58f21-1
0.220
MAK-UNK-27459e11-9
0.220
ANT-DIA-b7f58f21-6
0.218
DUN-NEW-f8ce3686-5
0.218
MAT-POS-ea426761-3
0.217
MAK-UNK-27459e11-10
0.216
JOH-ILL-98f23d0b-2
0.215
ROB-UNI-b2e39629-9
0.214
HUB-UNK-9845d277-1
0.211
MAK-UNK-c44f4be0-3
0.211
PET-SGC-90aed325-1
0.210
BEN-DND-362d364a-6
0.210
ROB-UNI-b2e39629-3
0.208
SAD-SAT-cefd50cc-8
0.207
DUN-NEW-f8ce3686-4
0.207
MAK-UNK-31051d4e-6
0.205
ANT-DIA-b7f58f21-2
0.204
TRY-UNI-9f475305-4
0.203
ASH-UNK-40b46b30-6
0.202
BEN-DND-362d364a-7
0.202
WAR-XCH-6eb0722e-3
0.200
BEN-DND-362d364a-9
0.200
MAR-TRE-66ac689e-30
0.198
ROB-UNI-b2e39629-2
0.198
MIH-UNI-3396182e-11
0.195
MAD-FNM-74857450-1
0.195
WAR-XCH-6eb0722e-6
0.195
MAK-UNK-31051d4e-5
0.195
SIM-DEM-5935bd74-5
0.194
WAR-XCH-6eb0722e-2
0.193
FRA-BIO-8bf1eac9-11
0.193
JON-UIO-066ce08b-9
0.192
HAN-NEW-5f56c3bc-2
0.191
SER-UNI-985a0e14-1
0.190
ROB-UNI-b2e39629-5
0.190
MAK-UNK-31051d4e-1
0.190
NAU-LAT-64f4b287-3
0.189
JAC-UNI-8d446b52-1
0.189
DRE-WAB-9b73098a-1
0.188
NAU-LAT-42d4957e-4
0.188
BEN-DND-f6031113-4
0.187
SUG-SAT-4be79373-1
0.186
MAK-UNK-27459e11-2
0.186