Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c(OCc3ccc4nc[nH]c4c3)cc(F)cc12 |
MW: | 366.396 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 82.8 |
cLogP: | 3.4409 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
NAU-LAT-81109c57-5
0.636
GAB-REV-4a4e2ff3-20
0.602
GAB-REV-4a4e2ff3-7
0.477
GAB-REV-4a4e2ff3-9
0.444
GAB-REV-4a4e2ff3-8
0.422
MAK-UNK-be5ffcbc-9
0.418
GAB-REV-4a4e2ff3-21
0.412
TAM-UNI-c140e31a-2
0.408
GAB-REV-4a4e2ff3-5
0.407
WIL-LEE-1f71e281-6
0.406
GAB-REV-4a4e2ff3-11
0.393
ASH-UNK-40b46b30-5
0.392
MAK-UNK-be5ffcbc-6
0.390
GAB-REV-4a4e2ff3-3
0.389
ELE-IMP-dfb36048-1
0.388
PET-SGC-f818f65b-1
0.388
SIM-DEM-265738e1-1
0.388
TAM-UNI-c140e31a-15
0.388
SAM-UNK-903735bd-2
0.388
MAK-UNK-be5ffcbc-2
0.386
GAB-REV-4a4e2ff3-14
0.386
GAB-REV-4a4e2ff3-13
0.385
GAB-REV-4a4e2ff3-17
0.383
MAK-UNK-be5ffcbc-4
0.382
NAU-LAT-81109c57-3
0.381
AAR-POS-d2a4d1df-2
0.380
JOK-SYG-b7365cd7-1
0.380
ASH-UNK-40b46b30-7
0.380
GAB-REV-4a4e2ff3-18
0.378
GAB-REV-4a4e2ff3-12
0.376
GAB-REV-4a4e2ff3-6
0.375
NAU-LAT-81109c57-7
0.375
ANT-OPE-b90194ad-1
0.368
MAK-UNK-10572812-12
0.367
LON-WEI-af038623-6
0.365
SAM-UNK-903735bd-1
0.365
MAK-UNK-be5ffcbc-5
0.364
GAB-REV-4a4e2ff3-15
0.364
TAM-UNI-c140e31a-22
0.362
NAU-LAT-f723e322-2
0.361
GAB-REV-4a4e2ff3-19
0.360
GAB-REV-4a4e2ff3-1
0.360
PET-SGC-1c3a473d-1
0.357
WAR-XCH-e55cba98-3
0.357
NIR-THE-0d6461ce-3
0.355
JOH-MSK-a63bdd1d-1
0.354
TAM-UNI-c140e31a-3
0.354
WAR-XCH-e55cba98-2
0.353
GAB-REV-4a4e2ff3-16
0.353
NAU-LAT-81109c57-6
0.352
NAU-LAT-f723e322-1
0.352
STU-CHA-bc0a9883-1
0.352
DAR-DIA-fb20be43-11
0.352
JOK-SYG-302da050-1
0.352
MAK-UNK-ec98eaf6-33
0.351
SAN-PRS-3c4a6997-1
0.351
MAK-UNK-ec98eaf6-34
0.351
GAB-REV-4a4e2ff3-10
0.347
NIR-THE-0d6461ce-2
0.345
GAB-REV-4a4e2ff3-4
0.345
MAR-UCB-195bc32d-16
0.340
JOH-MSK-a63bdd1d-4
0.340
DAR-DIA-caba39e3-6
0.336
ROB-UNI-b2e39629-7
0.333
BEN-VAN-d8fd1356-27
0.330
ROB-UNI-b2e39629-6
0.330
ALE-ACE-2610ee4d-1
0.330
MAR-UCB-195bc32d-21
0.330
JOH-MSK-35a8745a-1
0.330
CAL-AMP-9edebd8f-1
0.327
ELE-IMP-dfb36048-2
0.327
DUN-NEW-f8ce3686-10
0.327
DUN-NEW-f8ce3686-21
0.327
MAT-GIT-deadff56-1
0.327
DUN-NEW-f8ce3686-12
0.327
JOH-MEM-4bb7e4cc-1
0.327
PAT-UNK-b2d83456-4
0.321
BEN-DND-362d364a-8
0.320
ROB-UNI-b2e39629-4
0.320
FRA-DIA-8640f307-1
0.318
DUN-NEW-f8ce3686-11
0.315
JOH-MSK-a63bdd1d-5
0.314
WAR-XCH-e55cba98-5
0.311
GAB-REV-70cc3ca5-18
0.311
HAN-NEW-5f56c3bc-2
0.311
JOK-SYG-b9f02a42-3
0.310
PAT-UNK-b2d83456-5
0.309
JOH-MSK-d60b0211-1
0.309
SAN-PRS-3c4a6997-2
0.309
NAU-LAT-30527ac5-4
0.306
DUN-NEW-f8ce3686-24
0.304
DAR-DIA-fb20be43-15
0.304
JOH-CHE-3504ac3d-2
0.304
JAN-GHE-6413aaf8-5
0.304
MAR-TRE-c317dd82-56
0.303
BEN-VAN-d8fd1356-10
0.302
NAU-LAT-81109c57-1
0.301
BEN-VAN-d8fd1356-16
0.300
NAU-LAT-30527ac5-5
0.299
NAU-LAT-0543f7f2-3
0.299