Molecular Properties | |
SMILES: | CC(=O)NC=Cc1c[nH]c2c(CCNS(C)(=O)=O)cc(F)cc12 |
MW: | 339.392 |
Fraction sp3: | 0.27 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 91.06 |
cLogP: | 1.5055 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
SAM-UNK-903735bd-2
0.564
PET-SGC-f818f65b-1
0.564
TAM-UNI-c140e31a-15
0.564
ELE-IMP-dfb36048-1
0.564
SIM-DEM-265738e1-1
0.564
SAM-UNK-83e03154-3
0.551
SAM-UNK-83e03154-1
0.541
HAN-NEW-5f56c3bc-2
0.424
ROB-UNI-b2e39629-4
0.419
BEN-DND-362d364a-8
0.419
ROB-UNI-b2e39629-2
0.388
ELE-IMP-dfb36048-2
0.364
CAL-AMP-9edebd8f-1
0.364
DUN-NEW-f8ce3686-10
0.364
WIL-LEE-1f71e281-6
0.344
TAM-UNI-c140e31a-20
0.344
ELE-IMP-dfb36048-5
0.329
TAM-UNI-c140e31a-2
0.323
BEN-DND-362d364a-9
0.318
MAK-UNK-be5ffcbc-2
0.312
GAB-REV-4a4e2ff3-8
0.310
MAK-UNK-be5ffcbc-4
0.309
MAK-UNK-ec98eaf6-33
0.308
GAB-REV-4a4e2ff3-3
0.308
NAU-LAT-f723e322-1
0.307
DAR-DIA-fb20be43-11
0.307
STU-CHA-bc0a9883-1
0.307
JOK-SYG-302da050-1
0.307
MAK-UNK-be5ffcbc-9
0.307
SAM-UNK-903735bd-1
0.306
ASH-UNK-40b46b30-5
0.306
JAN-GHE-6413aaf8-7
0.304
NIR-THE-0d6461ce-2
0.301
ROB-UNI-b2e39629-9
0.299
ROB-UNI-b2e39629-5
0.293
MAR-UNI-9ca61fdc-1
0.292
NAU-LAT-f723e322-2
0.291
PET-SGC-1c3a473d-1
0.290
MAK-UNK-be5ffcbc-6
0.289
NAU-LAT-0543f7f2-4
0.287
NAU-LAT-81109c57-3
0.284
AAR-POS-d2a4d1df-2
0.284
SHR-UNK-cde60afe-1
0.283
GAB-REV-4a4e2ff3-15
0.283
ROB-UNI-b2e39629-10
0.283
BEN-DND-362d364a-7
0.283
GAB-REV-4a4e2ff3-1
0.282
NAU-LAT-81109c57-6
0.282
LON-WEI-af038623-6
0.280
JOK-SYG-b7365cd7-1
0.278
SCO-VAN-260d9628-7
0.276
NAU-LAT-81109c57-7
0.273
SCO-VAN-260d9628-8
0.273
GAB-REV-4a4e2ff3-14
0.273
SAM-UNI-7fd13e32-1
0.273
GAB-REV-4a4e2ff3-10
0.272
MAK-UNK-27459e11-7
0.272
WIL-LEE-364b6ea8-13
0.271
JOH-MSK-a63bdd1d-2
0.271
ANT-DIA-b7f58f21-3
0.269
GAB-REV-4a4e2ff3-4
0.268
MAK-UNK-27459e11-8
0.265
SCO-VAN-260d9628-6
0.265
GAB-REV-4a4e2ff3-6
0.265
SIM-DEM-5935bd74-1
0.264
PET-SGC-85e821e4-2
0.264
GAB-REV-4a4e2ff3-7
0.263
MAK-UNK-27459e11-9
0.263
NAU-LAT-81109c57-5
0.262
GAB-REV-4a4e2ff3-21
0.262
NIR-THE-0d6461ce-3
0.262
ORN-MSD-5b974918-1
0.262
JOH-MEM-5e386bbd-8
0.258
ROB-UNI-b2e39629-7
0.258
MAK-UNK-be5ffcbc-5
0.257
GAB-REV-4a4e2ff3-19
0.257
GAB-REV-4a4e2ff3-12
0.256
MAK-UNK-27459e11-10
0.256
ROB-UNI-b2e39629-3
0.255
BEN-VAN-d8fd1356-21
0.255
ELE-IMP-dfb36048-3
0.255
GAB-REV-4a4e2ff3-5
0.255
GAB-REV-4a4e2ff3-20
0.254
GAB-REV-4a4e2ff3-16
0.254
ROB-UNI-b2e39629-6
0.253
JOK-SYG-302da050-2
0.252
GAB-REV-4a4e2ff3-18
0.252
TAM-UNI-c140e31a-22
0.252
MAK-UNK-ec98eaf6-34
0.250
ASH-UNK-40b46b30-7
0.250
BEN-VAN-d8fd1356-24
0.250
DUN-NEW-f8ce3686-5
0.248
DUN-NEW-f8ce3686-4
0.248
ASH-UNK-40b46b30-6
0.247
WAR-XCH-e55cba98-3
0.246
GAB-REV-4a4e2ff3-2
0.246
GAB-REV-4a4e2ff3-9
0.246
GAB-REV-4a4e2ff3-11
0.246
GAB-REV-4a4e2ff3-13
0.245
DAR-DIA-fb20be43-15
0.245