Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c(CN3CCNCC3)cc(F)cc12 |
MW: | 318.19 |
Fraction sp3: | 0.47 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 60.16 |
cLogP: | 1.39 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
MAK-UNK-be5ffcbc-4
0.761
SAM-UNK-903735bd-1
0.750
STU-CHA-bc0a9883-1
0.711
DAR-DIA-fb20be43-11
0.711
NAU-LAT-f723e322-1
0.711
JOK-SYG-302da050-1
0.711
NAU-LAT-f723e322-2
0.701
WIL-LEE-1f71e281-6
0.587
MAK-UNK-be5ffcbc-6
0.577
PAT-UNK-b2d83456-5
0.561
JOH-MSK-d60b0211-1
0.561
SAM-UNK-903735bd-2
0.558
TAM-UNI-c140e31a-15
0.558
SIM-DEM-265738e1-1
0.558
PET-SGC-f818f65b-1
0.558
ELE-IMP-dfb36048-1
0.558
NIR-THE-0d6461ce-2
0.553
ASH-UNK-40b46b30-5
0.537
MAK-UNK-be5ffcbc-9
0.527
GAB-REV-4a4e2ff3-8
0.518
SCO-VAN-260d9628-6
0.512
DAR-DIA-fb20be43-15
0.512
BEN-VAN-d8fd1356-21
0.506
MAK-UNK-ec98eaf6-33
0.506
TAM-UNI-c140e31a-2
0.500
DAR-DIA-fb20be43-14
0.494
JOK-SYG-b9f02a42-1
0.494
BEN-VAN-d8fd1356-22
0.487
JOK-SYG-b9f02a42-2
0.484
JOK-SYG-b9f02a42-3
0.478
PAT-UNK-b2d83456-4
0.476
GAB-REV-4a4e2ff3-15
0.473
GAB-REV-4a4e2ff3-3
0.473
DUN-NEW-f8ce3686-11
0.465
PET-SGC-1c3a473d-1
0.462
NAU-LAT-81109c57-6
0.461
GAB-REV-4a4e2ff3-4
0.458
NAU-LAT-81109c57-7
0.453
JOK-SYG-b7365cd7-1
0.452
GAB-REV-4a4e2ff3-1
0.448
NIR-THE-0d6461ce-3
0.446
DUN-NEW-f8ce3686-24
0.444
JAN-GHE-6413aaf8-5
0.444
JOK-SYG-302da050-2
0.443
GAB-REV-4a4e2ff3-14
0.442
NAU-LAT-81109c57-5
0.438
GAB-REV-4a4e2ff3-19
0.436
LON-WEI-af038623-6
0.432
ORN-MSD-5b974918-1
0.430
MAK-UNK-be5ffcbc-5
0.429
GAB-REV-4a4e2ff3-6
0.427
AAR-POS-d2a4d1df-2
0.423
MAK-UNK-ec98eaf6-34
0.423
GAB-REV-4a4e2ff3-21
0.422
NAU-LAT-81109c57-3
0.418
GAB-REV-4a4e2ff3-18
0.412
MAK-UNK-be5ffcbc-1
0.409
BEN-VAN-d8fd1356-24
0.405
SAM-UNK-83e03154-1
0.402
ASH-UNK-40b46b30-7
0.400
HAN-NEW-5f56c3bc-2
0.400
WAR-XCH-e55cba98-5
0.398
GAB-REV-4a4e2ff3-16
0.396
BEN-DND-362d364a-8
0.395
ROB-UNI-b2e39629-4
0.395
ROB-UNI-b2e39629-6
0.393
TAM-UNI-c140e31a-22
0.392
GAB-REV-4a4e2ff3-13
0.392
GAB-REV-4a4e2ff3-10
0.388
GAB-REV-4a4e2ff3-17
0.388
DAR-DIA-caba39e3-6
0.388
DUN-NEW-f8ce3686-21
0.388
GAB-REV-4a4e2ff3-5
0.388
GAB-REV-4a4e2ff3-2
0.386
GAB-REV-4a4e2ff3-11
0.386
WAR-XCH-e55cba98-3
0.386
GAB-REV-4a4e2ff3-9
0.386
TAM-UNI-c140e31a-3
0.384
MAK-UNK-10572812-12
0.383
WAR-XCH-e55cba98-2
0.382
ROB-UNI-b2e39629-7
0.379
GAB-REV-4a4e2ff3-7
0.379
MAK-UNK-ec98eaf6-47
0.374
DUN-NEW-f8ce3686-12
0.373
JOH-MEM-4bb7e4cc-1
0.373
MAT-GIT-deadff56-1
0.373
DUN-NEW-f8ce3686-10
0.372
ELE-IMP-dfb36048-2
0.372
CAL-AMP-9edebd8f-1
0.372
SAN-PRS-3c4a6997-1
0.370
GAB-REV-4a4e2ff3-20
0.369
SCO-VAN-260d9628-7
0.367
BEN-VAN-d8fd1356-27
0.359
MAR-UCB-195bc32d-16
0.358
JOH-MSK-a63bdd1d-4
0.358
JOH-MSK-a63bdd1d-1
0.357
GAB-REV-4a4e2ff3-12
0.355
SAN-PRS-3c4a6997-2
0.354
FRA-DIA-8640f307-1
0.350
JAN-GHE-6413aaf8-8
0.350