Molecular Properties | |
SMILES: | CS(=O)(=O)NC[C@@H](C(=O)N1CCc2ccncc21)c1ccc(F)cc1 |
MW: | 363.414 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 79.37 |
cLogP: | 1.4428 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Long aliphatic chain
Hetero_hetero
DAN-RED-da448e80-10
0.813
DAN-RED-da448e80-7
0.805
DAN-RED-da448e80-14
0.769
DAN-RED-da448e80-2
0.763
DAN-RED-da448e80-11
0.655
DAN-RED-da448e80-18
0.634
DAN-RED-da448e80-8
0.628
DAN-RED-da448e80-15
0.621
DAN-RED-da448e80-3
0.612
DAN-RED-da448e80-19
0.505
DAN-RED-da448e80-12
0.505
DAN-RED-da448e80-16
0.484
DAN-RED-da448e80-4
0.468
DAN-RED-da448e80-5
0.422
DAN-RED-da448e80-20
0.384
SAM-UNK-2684b532-14
0.340
DAN-RED-da448e80-9
0.320
DAN-RED-da448e80-13
0.300
PED-UNI-8d53fd73-1
0.299
PED-UNI-5b7f1100-1
0.299
DRE-WAB-eb790b7a-1
0.299
DAN-RED-da448e80-1
0.299
DRE-WAB-ae4a693c-1
0.295
BEN-DND-362d364a-12
0.295
PET-SGC-b0f8bd49-1
0.295
PET-SGC-d0156db4-1
0.295
MAR-TRE-d0525fbf-97
0.274
DAN-RED-da448e80-17
0.270
SAD-SAT-24589cd1-7
0.269
MAR-TRE-66ac689e-58
0.264
MAK-UNK-27459e11-13
0.262
MAR-TRE-66ac689e-85
0.255
PET-SGC-d5b502b1-1
0.252
WIL-WAB-6ef46ddb-1
0.252
MAK-MCD-5988fef6-1
0.252
MAR-TRE-66ac689e-62
0.250
MAR-TRE-66ac689e-95
0.250
ASH-UNK-40b46b30-13
0.248
TAM-UNI-c140e31a-10
0.248
KEI-TRE-d5e2018a-55
0.245
MAR-TRE-66ac689e-100
0.245
AAR-UNI-c25c2f1e-84
0.241
MAR-TRE-66ac689e-94
0.240
WIL-UNI-1faa9b10-53
0.236
ADA-UNI-f8e79267-2
0.235
BEN-DND-09b88bf4-3
0.235
BEN-DND-6de5dfa0-3
0.235
NAU-LAT-3f5f3993-5
0.235
MAR-TRE-66ac689e-42
0.235
BEN-DND-6de5dfa0-13
0.234
BEN-DND-93268d01-12
0.234
MAR-TRE-92684b97-15
0.232
NAU-LAT-3f5f3993-10
0.231
MAR-TRE-92684b97-43
0.231
MAR-TRE-8190bb11-47
0.229
NAU-LAT-445f63e5-2
0.228
KEI-TRE-d5e2018a-42
0.228
WAR-XCH-b6889685-48
0.228
MAK-UNK-0955449e-1
0.227
JOE-SYG-2c9a1216-2
0.226
BAR-COM-4e090d3a-57
0.226
SIM-DEM-163f01e0-1
0.226
MAK-UNK-27459e11-6
0.225
SEL-UNI-cd366922-2
0.224
MAR-TRE-92684b97-49
0.223
MAR-TRE-7f7bb9f0-33
0.221
MAK-UNK-f0bfc2e0-2
0.221
PET-SGC-a9e9d4f4-1
0.220
MAR-TRE-6a44bbf2-81
0.220
WIL-UNI-1faa9b10-42
0.218
DUN-NEW-f8ce3686-14
0.218
MAR-TRE-799db12b-99
0.217
EDJ-MED-1b5395f9-4
0.217
EDJ-MED-1b5395f9-5
0.217
EDJ-MED-1b5395f9-6
0.217
MAR-TRE-92684b97-41
0.216
FOC-CAS-e3a94da8-2
0.216
MAD-FNM-74857450-1
0.216
PET-SGC-abcbce68-1
0.216
MAR-TRE-92684b97-31
0.216
MAR-TRE-c317dd82-24
0.216
MAR-TRE-799db12b-15
0.216
ZAC-WAB-d55a3c2e-2
0.215
ZAC-WAB-3baddbb3-1
0.215
MAR-TRE-1c920f6f-82
0.215
KIM-UNI-60f168f5-4
0.214
BEN-DND-362d364a-10
0.214
MAK-UNK-f0bfc2e0-3
0.214
MAR-TRE-c317dd82-73
0.214
BEN-DND-93268d01-5
0.214
MAR-TRE-4f781e27-68
0.214
MAR-TRE-66ac689e-5
0.214
MAR-TRE-799db12b-36
0.213
KIM-UNI-60f168f5-6
0.212
MAT-POS-bfefc3ea-4
0.212
PET-SGC-05cff2e1-1
0.212
SEL-UNI-cd366922-9
0.212
NEE-PAC-882c416c-1
0.212
PET-UNK-f4e47ebd-13
0.211
MAR-TRE-0fda4e82-5
0.211