Molecular Properties | |
SMILES: | CS(=O)(=O)NCCc1ccc(-c2nnc(CN3CCC=C(F)C3)s2)cc1 |
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-8145c7a0-11
0.718
MAK-UNK-8145c7a0-10
0.607
MAK-UNK-ae34c249-7
0.521
MAK-UNK-8145c7a0-1
0.516
MAK-UNK-8145c7a0-2
0.511
MAK-UNK-8145c7a0-8
0.458
MAK-UNK-8145c7a0-9
0.458
AAR-POS-d2a4d1df-8
0.455
MAK-UNK-ae34c249-2
0.438
MAK-UNK-ae34c249-3
0.412
MAK-UNK-ae34c249-4
0.382
MAK-UNK-ae34c249-1
0.382
MAK-UNK-27459e11-16
0.364
MAK-UNK-8145c7a0-5
0.343
MAK-UNK-8145c7a0-3
0.340
MAK-UNK-27459e11-9
0.325
MAK-UNK-8145c7a0-6
0.324
MAK-UNK-8145c7a0-4
0.318
MAK-UNK-8145c7a0-7
0.308
AAR-POS-d2a4d1df-1
0.299
ANT-DIA-b7f58f21-6
0.297
MAK-UNK-27459e11-15
0.287
ELE-IMP-dfb36048-3
0.279
ANT-DIA-b7f58f21-1
0.262
ANT-DIA-b7f58f21-7
0.261
JOH-ILL-98f23d0b-4
0.256
MAK-UNK-27459e11-10
0.256
NAU-LAT-2fed8305-4
0.250
ELE-IMP-dfb36048-4
0.248
JOH-ILL-98f23d0b-1
0.247
SIM-DEM-5935bd74-2
0.247
PET-SGC-85e821e4-1
0.245
ANT-DIA-b7f58f21-2
0.244
JOH-ILL-98f23d0b-3
0.240
MAK-UNK-c44f4be0-14
0.236
MAK-UNK-27459e11-8
0.236
MAK-UNK-27459e11-7
0.227
JOH-ILL-98f23d0b-2
0.225
MAK-UNK-31051d4e-6
0.225
ANT-DIA-b7f58f21-5
0.224
ANT-DIA-b7f58f21-3
0.224
JOH-IMS-65d2d0b5-1
0.223
MAK-UNK-27459e11-2
0.222
ANT-DIA-b7f58f21-9
0.222
NAU-LAT-42d4957e-4
0.219
SIM-DEM-5935bd74-5
0.216
ELE-IMP-dfb36048-5
0.213
JAN-GHE-6413aaf8-7
0.211
ANT-DIA-b7f58f21-8
0.211
ROB-UNI-b2e39629-1
0.211
IND-SYN-8bc6954a-2
0.211
MAK-UNK-31051d4e-1
0.209
SAM-UNK-83e03154-2
0.209
MAK-UNK-27459e11-4
0.207
JAC-UNI-8d446b52-1
0.207
SAD-SAT-cefd50cc-8
0.205
SCO-VAN-260d9628-4
0.205
DUN-NEW-f8ce3686-14
0.204
MAK-UNK-31051d4e-5
0.204
MAK-UNK-194150d3-14
0.203
PET-SGC-abcbce68-1
0.202
TRY-UNI-9f475305-4
0.202
MAR-UNI-9ca61fdc-1
0.200
MAT-POS-ea426761-85
0.200
MAK-UNK-27459e11-3
0.200
MIH-UNI-3396182e-8
0.200
WIL-LEE-23e8b574-2
0.200
MAK-UNK-c44f4be0-4
0.198
PET-SGC-0ecb2cfe-1
0.198
TAM-UNI-c140e31a-15
0.198
SIM-DEM-265738e1-1
0.198
ELE-IMP-dfb36048-1
0.198
SAM-UNK-903735bd-2
0.198
PET-SGC-f818f65b-1
0.198
MAK-UNK-27459e11-1
0.198
MAK-UNK-31051d4e-2
0.196
MAK-UNK-31051d4e-3
0.196
PET-UNK-f4e47ebd-28
0.195
SIM-DEM-5935bd74-7
0.194
MAR-UCB-195bc32d-29
0.193
AAR-UNI-c25c2f1e-90
0.192
ROB-UNI-b2e39629-9
0.191
ELE-IMP-dfb36048-2
0.190
DUN-NEW-f8ce3686-10
0.190
CAL-AMP-9edebd8f-1
0.190
DAN-RED-da448e80-19
0.190
DAN-RED-da448e80-20
0.190
PET-SGC-c4a91520-1
0.189
TAM-UNI-d1c3dd9f-4
0.189
ROB-UNI-b2e39629-10
0.189
ASH-UNK-40b46b30-6
0.189
SIM-DEM-5935bd74-1
0.188
MAR-TRE-423310b6-30
0.188
PET-SGC-85e821e4-2
0.188
DUN-NEW-f8ce3686-23
0.188
WIL-LEE-23e8b574-4
0.188
WAR-XCH-6eb0722e-5
0.188
DUN-NEW-f8ce3686-5
0.187
SIM-DEM-f31d0e65-1
0.187
WAL-WAB-c1441da0-2
0.187