Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c(NCc3nc4ccccc4o3)cc(F)cc12 |
MW: | 366.396 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 82.95 |
cLogP: | 3.7389 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
GAB-REV-4a4e2ff3-18
0.656
GAB-REV-4a4e2ff3-21
0.593
GAB-REV-4a4e2ff3-13
0.567
GAB-REV-4a4e2ff3-20
0.519
LON-WEI-af038623-6
0.505
TAM-UNI-c140e31a-3
0.495
NAU-LAT-81109c57-3
0.475
GAB-REV-4a4e2ff3-14
0.469
ASH-UNK-40b46b30-7
0.456
GAB-REV-4a4e2ff3-11
0.454
GAB-REV-4a4e2ff3-3
0.452
NIR-THE-0d6461ce-3
0.442
GAB-REV-4a4e2ff3-6
0.440
MAK-UNK-be5ffcbc-9
0.413
ANT-OPE-b90194ad-1
0.412
GAB-REV-4a4e2ff3-15
0.411
GAB-REV-4a4e2ff3-12
0.409
NAU-LAT-81109c57-5
0.408
MAK-UNK-be5ffcbc-4
0.406
DAR-DIA-caba39e3-6
0.404
ASH-UNK-40b46b30-5
0.402
MAK-UNK-be5ffcbc-6
0.400
MAK-UNK-ec98eaf6-34
0.396
MAK-UNK-be5ffcbc-2
0.396
GAB-REV-4a4e2ff3-5
0.391
TAM-UNI-c140e31a-2
0.390
JOK-SYG-b7365cd7-1
0.390
SAM-UNK-903735bd-1
0.388
WIL-LEE-1f71e281-6
0.388
NAU-LAT-f723e322-1
0.387
DAR-DIA-fb20be43-11
0.387
STU-CHA-bc0a9883-1
0.387
JOK-SYG-302da050-1
0.387
SIM-DEM-265738e1-1
0.384
ELE-IMP-dfb36048-1
0.384
PET-SGC-f818f65b-1
0.384
SAM-UNK-903735bd-2
0.384
TAM-UNI-c140e31a-15
0.384
NAU-LAT-f723e322-2
0.383
GAB-REV-4a4e2ff3-1
0.381
GAB-REV-4a4e2ff3-17
0.379
PET-SGC-1c3a473d-1
0.378
GAB-REV-4a4e2ff3-4
0.377
NAU-LAT-81109c57-7
0.372
GAB-REV-4a4e2ff3-7
0.371
NIR-THE-0d6461ce-2
0.367
GAB-REV-4a4e2ff3-9
0.365
WAR-XCH-e55cba98-3
0.365
GAB-REV-4a4e2ff3-8
0.364
WAR-XCH-e55cba98-2
0.362
AAR-POS-d2a4d1df-2
0.362
NAU-LAT-81109c57-6
0.361
MAK-UNK-be5ffcbc-5
0.361
GAB-REV-4a4e2ff3-10
0.356
GAB-REV-4a4e2ff3-2
0.353
TAM-UNI-c140e31a-22
0.347
GAB-REV-4a4e2ff3-19
0.345
MAK-UNK-10572812-12
0.341
MAK-UNK-ec98eaf6-33
0.336
NAU-LAT-30527ac5-4
0.336
JOH-MSK-2d8052dc-1
0.336
NIR-THE-c331be7a-3
0.336
JOK-SYG-b9f02a42-2
0.333
DAR-DIA-caba39e3-5
0.333
PAT-UNK-b2d83456-4
0.330
DAR-DIA-caba39e3-4
0.325
DUN-NEW-f8ce3686-24
0.324
DAR-DIA-fb20be43-15
0.324
DUN-NEW-f8ce3686-11
0.324
DUN-NEW-f8ce3686-21
0.324
JOH-MSK-a63bdd1d-4
0.323
MAR-UCB-195bc32d-16
0.323
WAR-XCH-e55cba98-5
0.320
SAN-PRS-3c4a6997-1
0.320
SAN-PRS-3c4a6997-2
0.319
JOK-SYG-b9f02a42-3
0.319
JOH-MSK-d60b0211-1
0.318
PAT-UNK-b2d83456-5
0.318
SCO-VAN-260d9628-8
0.318
ROB-UNI-b2e39629-7
0.317
DAR-DIA-fb20be43-14
0.316
JOK-SYG-b9f02a42-1
0.316
ROB-UNI-b2e39629-6
0.314
JAN-GHE-6413aaf8-5
0.312
MAK-UNK-ec98eaf6-41
0.312
CAL-AMP-9edebd8f-1
0.311
DUN-NEW-f8ce3686-10
0.311
ELE-IMP-dfb36048-2
0.311
SCO-VAN-260d9628-7
0.308
HAN-NEW-5f56c3bc-2
0.308
NAU-LAT-0543f7f2-3
0.308
NAU-LAT-30527ac5-5
0.308
FRA-DIA-8640f307-1
0.306
NAU-LAT-30527ac5-6
0.306
BEN-DND-362d364a-8
0.305
ROB-UNI-b2e39629-4
0.305
MAK-UNK-10799360-31
0.304
JOH-CHE-3504ac3d-2
0.301
MAR-UCB-195bc32d-21
0.300
ALE-ACE-2610ee4d-1
0.300