Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c(Cc3nnc(C)s3)cc(F)cc12 |
MW: | 332.11 |
Fraction sp3: | 0.31 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 70.67 |
cLogP: | 2.74 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
SCO-VAN-260d9628-7
0.736
GAB-REV-4a4e2ff3-8
0.578
WIL-LEE-1f71e281-6
0.551
GAB-REV-4a4e2ff3-3
0.545
SAM-UNK-903735bd-2
0.544
SIM-DEM-265738e1-1
0.544
ELE-IMP-dfb36048-1
0.544
PET-SGC-f818f65b-1
0.544
TAM-UNI-c140e31a-15
0.544
MAK-UNK-be5ffcbc-2
0.537
GAB-REV-4a4e2ff3-1
0.533
MAK-UNK-be5ffcbc-4
0.512
SAM-UNK-903735bd-1
0.506
TAM-UNI-c140e31a-2
0.506
MAK-UNK-ec98eaf6-33
0.495
MAK-UNK-be5ffcbc-9
0.494
PET-SGC-1c3a473d-1
0.484
DAR-DIA-fb20be43-11
0.483
NAU-LAT-f723e322-1
0.483
JOK-SYG-302da050-1
0.483
STU-CHA-bc0a9883-1
0.483
NAU-LAT-f723e322-2
0.478
NAU-LAT-81109c57-7
0.474
NIR-THE-0d6461ce-2
0.473
GAB-REV-4a4e2ff3-15
0.462
MAK-UNK-be5ffcbc-6
0.453
SCO-VAN-260d9628-8
0.448
GAB-REV-4a4e2ff3-21
0.444
JOK-SYG-b7365cd7-1
0.442
GAB-REV-4a4e2ff3-5
0.438
GAB-REV-4a4e2ff3-4
0.434
GAB-REV-4a4e2ff3-14
0.432
AAR-POS-d2a4d1df-2
0.430
NAU-LAT-81109c57-5
0.429
LON-WEI-af038623-6
0.422
GAB-REV-4a4e2ff3-6
0.418
NAU-LAT-81109c57-3
0.409
HAN-NEW-5f56c3bc-2
0.407
ASH-UNK-40b46b30-7
0.406
MAK-UNK-be5ffcbc-5
0.404
NAU-LAT-81109c57-6
0.404
TAM-UNI-c140e31a-3
0.404
FRA-DIA-8640f307-1
0.404
GAB-REV-4a4e2ff3-16
0.402
MAK-UNK-ec98eaf6-34
0.400
GAB-REV-4a4e2ff3-13
0.398
GAB-REV-4a4e2ff3-11
0.392
GAB-REV-4a4e2ff3-2
0.392
WAR-XCH-e55cba98-3
0.392
NIR-THE-0d6461ce-3
0.392
ORN-MSD-5b974918-1
0.392
GAB-REV-4a4e2ff3-18
0.390
BEN-DND-362d364a-8
0.386
ROB-UNI-b2e39629-7
0.386
ROB-UNI-b2e39629-4
0.386
TAM-UNI-c140e31a-22
0.385
GAB-REV-4a4e2ff3-19
0.384
PAT-UNK-b2d83456-5
0.383
JOH-MSK-d60b0211-1
0.383
GAB-REV-4a4e2ff3-9
0.379
SAN-PRS-3c4a6997-1
0.378
WAR-XCH-e55cba98-5
0.377
GAB-REV-4a4e2ff3-20
0.375
WAR-XCH-e55cba98-2
0.375
JOH-CHE-3504ac3d-2
0.375
GAB-REV-4a4e2ff3-7
0.371
GAB-REV-4a4e2ff3-10
0.368
GAB-REV-4a4e2ff3-17
0.368
ROB-UNI-b2e39629-6
0.368
MAR-UCB-195bc32d-16
0.366
JOH-MSK-a63bdd1d-4
0.366
DUN-NEW-f8ce3686-12
0.365
JOH-MEM-4bb7e4cc-1
0.365
MAT-GIT-deadff56-1
0.365
CAL-AMP-9edebd8f-1
0.364
JOK-SYG-b9f02a42-1
0.364
DUN-NEW-f8ce3686-10
0.364
ELE-IMP-dfb36048-2
0.364
DUN-NEW-f8ce3686-21
0.364
SAN-PRS-3c4a6997-2
0.362
GAB-REV-4a4e2ff3-12
0.361
DAR-DIA-fb20be43-15
0.361
JOK-SYG-b9f02a42-2
0.356
DAR-DIA-caba39e3-6
0.355
PAT-UNK-b2d83456-4
0.355
JOH-MSK-35a8745a-1
0.353
ALE-ACE-2610ee4d-1
0.353
NAU-LAT-30527ac5-5
0.353
NAU-LAT-0543f7f2-3
0.353
MAR-UCB-195bc32d-21
0.353
JOK-SYG-b9f02a42-3
0.353
MAK-UNK-10572812-12
0.351
DAR-DIA-fb20be43-14
0.350
DUN-NEW-f8ce3686-11
0.347
NAU-LAT-30527ac5-4
0.346
FRA-DIA-8640f307-3
0.339
FRA-DIA-8640f307-2
0.336
DUN-NEW-f8ce3686-24
0.333
JOH-MSK-a63bdd1d-5
0.333
MAR-TRE-c317dd82-56
0.333