Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c(C(C)NC(=O)CCl)cc(F)cc12 |
MW: | 339.11 |
Fraction sp3: | 0.38 |
HBA: | 2 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 73.99 |
cLogP: | 2.4 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MAK-UNK-be5ffcbc-5
0.600
ROB-UNI-b2e39629-6
0.575
ROB-UNI-b2e39629-7
0.532
MAK-UNK-be5ffcbc-9
0.521
WIL-LEE-1f71e281-6
0.500
SAM-UNK-903735bd-1
0.494
NIR-THE-0d6461ce-2
0.477
TAM-UNI-c140e31a-15
0.475
SIM-DEM-265738e1-1
0.475
PET-SGC-f818f65b-1
0.475
ELE-IMP-dfb36048-1
0.475
SAM-UNK-903735bd-2
0.475
NIR-THE-0d6461ce-3
0.472
LON-WEI-af038623-6
0.459
MAK-UNK-be5ffcbc-6
0.458
STU-CHA-bc0a9883-1
0.455
DAR-DIA-fb20be43-11
0.455
NAU-LAT-f723e322-1
0.455
NAU-LAT-81109c57-6
0.455
JOK-SYG-302da050-1
0.455
GAB-REV-4a4e2ff3-14
0.452
MAK-UNK-be5ffcbc-2
0.452
MAK-UNK-ec98eaf6-33
0.451
MAK-UNK-be5ffcbc-4
0.447
GAB-REV-4a4e2ff3-19
0.446
TAM-UNI-c140e31a-22
0.443
TAM-UNI-c140e31a-2
0.443
ASH-UNK-40b46b30-5
0.442
GAB-REV-4a4e2ff3-6
0.437
GAB-REV-4a4e2ff3-15
0.435
AAR-POS-d2a4d1df-2
0.434
NAU-LAT-f723e322-2
0.433
GAB-REV-4a4e2ff3-21
0.432
NAU-LAT-81109c57-5
0.432
MAK-UNK-ec98eaf6-34
0.432
NAU-LAT-81109c57-3
0.427
GAB-REV-4a4e2ff3-8
0.427
DUN-NEW-f8ce3686-21
0.415
PET-SGC-1c3a473d-1
0.411
ASH-UNK-40b46b30-7
0.409
TAM-UNI-c140e31a-3
0.406
GAB-REV-4a4e2ff3-18
0.406
FRA-DIA-8640f307-1
0.405
GAB-REV-4a4e2ff3-3
0.404
NAU-LAT-81109c57-7
0.402
GAB-REV-4a4e2ff3-13
0.400
TAM-UNI-d1c3dd9f-24
0.400
SAN-PRS-3c4a6997-1
0.397
GAB-REV-4a4e2ff3-17
0.396
DAR-DIA-caba39e3-6
0.396
GAB-REV-4a4e2ff3-5
0.396
WAR-XCH-e55cba98-5
0.392
DAR-DIA-fb20be43-15
0.391
GAB-REV-4a4e2ff3-16
0.390
BEN-DND-362d364a-8
0.388
ROB-UNI-b2e39629-4
0.388
GAB-REV-4a4e2ff3-1
0.384
GAB-REV-4a4e2ff3-2
0.380
GAB-REV-4a4e2ff3-4
0.380
GAB-REV-4a4e2ff3-11
0.380
WAR-XCH-e55cba98-3
0.380
GAB-REV-4a4e2ff3-9
0.380
JOK-SYG-b9f02a42-1
0.379
DUN-NEW-f8ce3686-11
0.378
HAN-NEW-5f56c3bc-2
0.376
GAB-REV-4a4e2ff3-20
0.376
WAR-XCH-e55cba98-2
0.376
TAM-UNI-d1c3dd9f-23
0.375
GAB-REV-4a4e2ff3-7
0.373
JOK-SYG-b9f02a42-2
0.371
GAB-REV-4a4e2ff3-10
0.369
JOK-SYG-b9f02a42-3
0.367
JOH-MSK-a63bdd1d-4
0.367
MAR-UCB-195bc32d-16
0.367
DAR-DIA-fb20be43-14
0.365
MED-COV-4280ac29-21
0.364
GAB-REV-4a4e2ff3-12
0.362
JOH-CHE-3504ac3d-2
0.362
PAU-WEI-b9b69149-7
0.356
PAT-UNK-b2d83456-5
0.355
JOH-MSK-d60b0211-1
0.355
ALE-ACE-2610ee4d-1
0.354
MAR-UCB-195bc32d-21
0.354
JOH-MSK-35a8745a-1
0.354
MAK-UNK-10572812-12
0.352
DUN-NEW-f8ce3686-12
0.349
JOH-MSK-a63bdd1d-1
0.349
JOH-MEM-4bb7e4cc-1
0.349
MAT-GIT-deadff56-1
0.349
PAU-WEI-b9b69149-8
0.349
MAK-UNK-ec98eaf6-8
0.349
DUN-NEW-f8ce3686-10
0.349
ELE-IMP-dfb36048-2
0.349
NAU-LAT-81109c57-1
0.349
CAL-AMP-9edebd8f-1
0.349
PAU-WEI-b9b69149-9
0.349
DUN-NEW-f8ce3686-24
0.347
SAN-PRS-3c4a6997-2
0.346
PAU-WEI-f734c343-1
0.346
PAT-UNK-b2d83456-4
0.341