Molecular Properties | |
SMILES: | CS(=O)(=O)NCCc1cccc(-c2nnc(CN3CCC=C(F)C3)s2)c1 |
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
0.718
MAK-UNK-8145c7a0-10
0.589
MAK-UNK-ae34c249-2
0.500
MAK-UNK-8145c7a0-1
0.475
MAK-UNK-8145c7a0-2
0.470
MAK-UNK-ae34c249-7
0.453
MAK-UNK-8145c7a0-8
0.451
MAK-UNK-8145c7a0-9
0.437
AAR-POS-d2a4d1df-8
0.429
MAK-UNK-ae34c249-3
0.407
MAK-UNK-ae34c249-4
0.404
MAK-UNK-27459e11-15
0.379
MAK-UNK-ae34c249-1
0.379
MAK-UNK-8145c7a0-5
0.330
MAK-UNK-27459e11-10
0.330
ANT-DIA-b7f58f21-2
0.322
MAK-UNK-8145c7a0-6
0.312
MAK-UNK-8145c7a0-4
0.307
MAK-UNK-8145c7a0-3
0.304
MAK-UNK-8145c7a0-7
0.298
ELE-IMP-dfb36048-3
0.294
ANT-DIA-b7f58f21-6
0.273
AAR-POS-d2a4d1df-1
0.271
MAK-UNK-27459e11-16
0.270
ANT-DIA-b7f58f21-1
0.267
ANT-DIA-b7f58f21-7
0.265
ELE-IMP-dfb36048-4
0.264
MAK-UNK-c44f4be0-4
0.254
MAK-UNK-27459e11-9
0.253
SIM-DEM-5935bd74-2
0.240
PET-SGC-85e821e4-1
0.238
NAU-LAT-42d4957e-4
0.236
JOH-ILL-98f23d0b-4
0.234
ELE-IMP-dfb36048-5
0.232
NAU-LAT-2fed8305-4
0.232
ANT-DIA-b7f58f21-3
0.231
ANT-DIA-b7f58f21-8
0.230
ROB-UNI-b2e39629-1
0.230
MAK-UNK-27459e11-8
0.229
JOH-ILL-98f23d0b-1
0.229
ANT-DIA-b7f58f21-9
0.228
JAN-GHE-6413aaf8-7
0.227
SAD-SAT-7d5528d9-16
0.225
MAK-UNK-27459e11-7
0.221
MAK-UNK-31051d4e-6
0.220
WIL-LEE-23e8b574-3
0.219
MAR-UCB-195bc32d-28
0.219
SAM-UNK-83e03154-2
0.216
MAK-UNK-31051d4e-1
0.216
JAC-UNI-8d446b52-1
0.213
DUN-NEW-f8ce3686-5
0.213
SCO-VAN-260d9628-4
0.212
SAD-SAT-cefd50cc-8
0.212
DUN-NEW-f8ce3686-14
0.211
JOH-ILL-98f23d0b-3
0.211
CAL-AMP-9edebd8f-1
0.209
ELE-IMP-dfb36048-2
0.209
DUN-NEW-f8ce3686-10
0.209
ROB-UNI-b2e39629-9
0.209
JAN-GHE-1d98ec1c-2
0.208
PET-SGC-85e821e4-2
0.208
SIM-DEM-5935bd74-1
0.208
MAR-UNI-9ca61fdc-1
0.208
JOH-IMS-65d2d0b5-1
0.207
ROB-UNI-b2e39629-10
0.207
MIH-UNI-3396182e-8
0.206
COM-UCB-8c7d23dc-14
0.206
MAK-UNK-c74072e5-7
0.206
PET-SGC-f818f65b-1
0.205
SIM-DEM-265738e1-1
0.205
SAM-UNK-903735bd-2
0.205
ELE-IMP-dfb36048-1
0.205
TAM-UNI-c140e31a-15
0.205
PET-SGC-0ecb2cfe-1
0.205
WAR-XCH-6eb0722e-5
0.205
ANT-DIA-b7f58f21-5
0.204
BEN-DND-76ad4ac9-3
0.204
WAR-XCH-6eb0722e-4
0.203
ALP-POS-95f71980-38
0.203
SIM-DEM-5935bd74-7
0.202
ALP-POS-91609ae9-1
0.202
MAK-UNK-849bee6c-7
0.202
WAR-XCH-6eb0722e-1
0.202
MAK-UNK-31051d4e-5
0.200
MAK-UNK-c44f4be0-14
0.200
SIM-DEM-5935bd74-5
0.200
MAD-FNM-74857450-1
0.200
DUN-NEW-f8ce3686-19
0.200
ALP-POS-e980f4ea-11
0.199
ERI-BAS-bd3ef700-1
0.198
SAD-SAT-7d5528d9-8
0.198
JOH-ILL-98f23d0b-2
0.198
PET-SGC-abcbce68-1
0.198
DAN-RED-da448e80-19
0.197
BEN-DND-362d364a-7
0.197
ASH-UNK-40b46b30-6
0.196
ALP-POS-91609ae9-2
0.196
MAT-POS-b5746674-22
0.195
GER-FIO-88d97d8c-1
0.194
ALP-POS-e980f4ea-9
0.194