Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c(Oc3ccc4ncccc4c3)cc(F)cc12 |
MW: | 363.392 |
Fraction sp3: | 0.14 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 67.01 |
cLogP: | 4.3261 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
GAB-REV-4a4e2ff3-9
0.596
GAB-REV-4a4e2ff3-11
0.564
NAU-LAT-81109c57-5
0.521
GAB-REV-4a4e2ff3-2
0.477
GAB-REV-4a4e2ff3-21
0.431
MAK-UNK-be5ffcbc-9
0.424
TAM-UNI-c140e31a-2
0.413
NAU-LAT-81109c57-3
0.413
GAB-REV-4a4e2ff3-8
0.413
ASH-UNK-40b46b30-7
0.411
GAB-REV-4a4e2ff3-3
0.407
NAU-LAT-81109c57-7
0.405
TAM-UNI-c140e31a-22
0.404
PET-SGC-1c3a473d-1
0.400
MAK-UNK-be5ffcbc-6
0.396
MAK-UNK-10572812-12
0.395
GAB-REV-4a4e2ff3-15
0.394
ELE-IMP-dfb36048-1
0.394
SIM-DEM-265738e1-1
0.394
PET-SGC-f818f65b-1
0.394
TAM-UNI-c140e31a-15
0.394
SAM-UNK-903735bd-2
0.394
GAB-REV-4a4e2ff3-17
0.388
GAB-REV-4a4e2ff3-5
0.387
WAR-XCH-e55cba98-3
0.386
GAB-REV-4a4e2ff3-18
0.384
TAM-UNI-c140e31a-3
0.384
WIL-LEE-1f71e281-6
0.384
WAR-XCH-e55cba98-2
0.383
GAB-REV-4a4e2ff3-6
0.381
GAB-REV-4a4e2ff3-14
0.379
MAK-UNK-be5ffcbc-2
0.379
GAB-REV-4a4e2ff3-13
0.378
GAB-REV-4a4e2ff3-1
0.377
JOK-SYG-b7365cd7-1
0.373
AAR-POS-d2a4d1df-2
0.372
ASH-UNK-40b46b30-5
0.371
GAB-REV-4a4e2ff3-16
0.371
GAB-REV-4a4e2ff3-20
0.371
NAU-LAT-81109c57-6
0.370
GAB-REV-4a4e2ff3-12
0.370
BEN-VAN-d8fd1356-10
0.366
MAK-UNK-be5ffcbc-4
0.362
SAM-UNK-903735bd-1
0.358
LON-WEI-af038623-6
0.358
JOK-SYG-302da050-1
0.358
DAR-DIA-fb20be43-11
0.358
STU-CHA-bc0a9883-1
0.358
NAU-LAT-f723e322-1
0.358
NAU-LAT-f723e322-2
0.355
GAB-REV-4a4e2ff3-4
0.350
NIR-THE-0d6461ce-3
0.348
MAK-UNK-be5ffcbc-5
0.345
BEN-VAN-d8fd1356-16
0.343
GAB-REV-4a4e2ff3-19
0.342
GAB-REV-4a4e2ff3-10
0.342
DAR-DIA-caba39e3-6
0.342
NIR-THE-0d6461ce-2
0.339
BEN-VAN-d8fd1356-11
0.339
JOH-MSK-35a8745a-1
0.337
MAR-UCB-195bc32d-21
0.337
ALE-ACE-2610ee4d-1
0.337
MAK-UNK-ec98eaf6-34
0.333
MAK-UNK-ec98eaf6-33
0.333
ROB-UNI-b2e39629-7
0.327
FRA-DIA-8640f307-1
0.323
NAU-LAT-30527ac5-4
0.322
BEN-VAN-d8fd1356-8
0.322
JOH-MSK-a63bdd1d-5
0.320
SHR-UNK-cde60afe-1
0.320
MAR-UCB-195bc32d-16
0.320
JOH-MSK-a63bdd1d-4
0.320
BEN-VAN-d8fd1356-7
0.319
HAN-NEW-5f56c3bc-2
0.317
SAN-PRS-3c4a6997-1
0.316
NAU-LAT-0543f7f2-3
0.316
NAU-LAT-30527ac5-5
0.316
PAT-UNK-b2d83456-5
0.315
JOH-MSK-d60b0211-1
0.315
DAR-DIA-fb20be43-14
0.313
BEN-VAN-d8fd1356-27
0.312
ROB-UNI-b2e39629-6
0.311
ELE-IMP-dfb36048-2
0.308
DUN-NEW-f8ce3686-10
0.308
CAL-AMP-9edebd8f-1
0.308
DUN-NEW-f8ce3686-21
0.308
NAU-LAT-81109c57-1
0.308
MAT-GIT-deadff56-1
0.307
DUN-NEW-f8ce3686-12
0.307
JOH-MEM-4bb7e4cc-1
0.307
WAR-XCH-e55cba98-5
0.306
BEN-VAN-d8fd1356-15
0.306
PAT-UNK-b2d83456-4
0.303
MAK-UNK-10572812-13
0.302
SAN-PRS-3c4a6997-2
0.302
ROB-UNI-b2e39629-4
0.302
BEN-DND-362d364a-8
0.302
DUN-NEW-f8ce3686-24
0.298
DAR-DIA-fb20be43-15
0.298
JOH-CHE-3504ac3d-2
0.298