Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c(CNc3cc4ccccc4[nH]3)cc(F)cc12 |
MW: | 364.424 |
Fraction sp3: | 0.19 |
HBA: | 2 |
HBD: | 4 |
Rotatable Bonds: | 6 |
TPSA: | 72.71 |
cLogP: | 4.079 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
GAB-REV-4a4e2ff3-3
0.532
GAB-REV-4a4e2ff3-4
0.515
WIL-LEE-1f71e281-6
0.500
NAU-LAT-81109c57-7
0.495
ELE-IMP-dfb36048-1
0.494
TAM-UNI-c140e31a-15
0.494
SAM-UNK-903735bd-2
0.494
SIM-DEM-265738e1-1
0.494
PET-SGC-f818f65b-1
0.494
TAM-UNI-c140e31a-2
0.479
SAM-UNK-903735bd-1
0.478
DAR-DIA-fb20be43-11
0.474
STU-CHA-bc0a9883-1
0.474
JOK-SYG-302da050-1
0.474
NAU-LAT-f723e322-1
0.474
MAK-UNK-be5ffcbc-2
0.473
MAK-UNK-be5ffcbc-4
0.467
NIR-THE-0d6461ce-2
0.464
GAB-REV-4a4e2ff3-8
0.463
ASH-UNK-40b46b30-5
0.462
PET-SGC-1c3a473d-1
0.460
MAK-UNK-be5ffcbc-9
0.447
GAB-REV-4a4e2ff3-1
0.447
MAK-UNK-ec98eaf6-33
0.440
NAU-LAT-f723e322-2
0.439
GAB-REV-4a4e2ff3-13
0.436
JOK-SYG-b7365cd7-1
0.435
NAU-LAT-81109c57-3
0.433
GAB-REV-4a4e2ff3-11
0.429
GAB-REV-4a4e2ff3-21
0.423
NAU-LAT-81109c57-5
0.423
MAK-UNK-be5ffcbc-6
0.415
GAB-REV-4a4e2ff3-16
0.411
GAB-REV-4a4e2ff3-14
0.411
AAR-POS-d2a4d1df-2
0.407
LON-WEI-af038623-6
0.402
NIR-THE-0d6461ce-3
0.402
NAU-LAT-81109c57-6
0.400
MAK-UNK-be5ffcbc-5
0.400
GAB-REV-4a4e2ff3-18
0.400
NAU-LAT-30527ac5-6
0.398
GAB-REV-4a4e2ff3-7
0.394
NAU-LAT-30527ac5-4
0.394
SAN-PRS-3c4a6997-2
0.393
DUN-NEW-f8ce3686-21
0.391
DAR-DIA-caba39e3-6
0.391
GAB-REV-4a4e2ff3-5
0.390
ASH-UNK-40b46b30-7
0.388
TAM-UNI-c140e31a-3
0.387
GAB-REV-4a4e2ff3-20
0.385
GAB-REV-4a4e2ff3-12
0.384
GAB-REV-4a4e2ff3-6
0.384
MAK-UNK-ec98eaf6-34
0.383
GAB-REV-4a4e2ff3-19
0.381
GAB-REV-4a4e2ff3-10
0.378
GAB-REV-4a4e2ff3-17
0.378
GAB-REV-4a4e2ff3-9
0.376
SAN-PRS-3c4a6997-1
0.375
WAR-XCH-e55cba98-2
0.373
TAM-UNI-c140e31a-22
0.369
BEN-DND-362d364a-8
0.368
ROB-UNI-b2e39629-4
0.368
ROB-UNI-b2e39629-6
0.366
WAR-XCH-e55cba98-3
0.364
GAB-REV-4a4e2ff3-2
0.364
CAL-AMP-9edebd8f-1
0.362
DUN-NEW-f8ce3686-10
0.362
ELE-IMP-dfb36048-2
0.362
DUN-NEW-f8ce3686-11
0.360
DAR-DIA-fb20be43-15
0.359
DUN-NEW-f8ce3686-24
0.359
HAN-NEW-5f56c3bc-2
0.358
MAK-UNK-10799360-31
0.357
PAT-UNK-b2d83456-4
0.354
NAU-LAT-0543f7f2-3
0.352
NAU-LAT-30527ac5-5
0.352
MAK-UNK-10572812-12
0.350
JOK-SYG-b9f02a42-1
0.349
DAR-DIA-fb20be43-14
0.349
MAR-UCB-195bc32d-16
0.348
JOH-MSK-a63bdd1d-4
0.348
DUN-NEW-f8ce3686-12
0.348
JOH-MEM-4bb7e4cc-1
0.348
MAT-GIT-deadff56-1
0.348
JOK-SYG-b9f02a42-2
0.343
ROB-UNI-b2e39629-7
0.340
JOH-MSK-d60b0211-1
0.340
PAT-UNK-b2d83456-5
0.340
JOK-SYG-b9f02a42-3
0.339
JOH-MSK-35a8745a-1
0.337
MAR-UCB-195bc32d-21
0.337
ALE-ACE-2610ee4d-1
0.337
ORN-MSD-5b974918-1
0.336
MED-COV-4280ac29-21
0.336
JAN-GHE-6413aaf8-5
0.333
MAK-UNK-ec98eaf6-41
0.331
DAR-DIA-caba39e3-5
0.330
SCO-VAN-260d9628-6
0.330
SCO-VAN-260d9628-7
0.330
WAR-XCH-e55cba98-5
0.328