Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c(N3CCNCC3)cc(F)cc12 |
MW: | 304.17 |
Fraction sp3: | 0.44 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 60.16 |
cLogP: | 1.4 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
MAK-UNK-10572812-12
0.581
MAK-UNK-be5ffcbc-2
0.577
MAK-UNK-be5ffcbc-9
0.534
MAK-UNK-be5ffcbc-4
0.494
SAM-UNK-903735bd-1
0.488
WIL-LEE-1f71e281-6
0.475
TAM-UNI-c140e31a-15
0.469
ELE-IMP-dfb36048-1
0.469
PET-SGC-f818f65b-1
0.469
SAM-UNK-903735bd-2
0.469
SIM-DEM-265738e1-1
0.469
STU-CHA-bc0a9883-1
0.466
JOK-SYG-302da050-1
0.466
NAU-LAT-f723e322-1
0.466
DAR-DIA-fb20be43-11
0.466
NAU-LAT-81109c57-6
0.466
NAU-LAT-f723e322-2
0.461
JOK-SYG-b7365cd7-1
0.458
NIR-THE-0d6461ce-2
0.456
GAB-REV-4a4e2ff3-8
0.455
ASH-UNK-40b46b30-5
0.453
NIR-THE-0d6461ce-3
0.451
GAB-REV-4a4e2ff3-6
0.448
WAR-XCH-e55cba98-3
0.448
GAB-REV-4a4e2ff3-14
0.447
NAU-LAT-81109c57-5
0.443
LON-WEI-af038623-6
0.437
ASH-UNK-40b46b30-7
0.435
MAK-UNK-be5ffcbc-5
0.433
TAM-UNI-c140e31a-3
0.432
MAK-UNK-ec98eaf6-33
0.430
AAR-POS-d2a4d1df-2
0.429
GAB-REV-4a4e2ff3-21
0.427
GAB-REV-4a4e2ff3-19
0.426
DAR-DIA-eace69ff-30
0.425
TAM-UNI-c140e31a-2
0.422
NAU-LAT-81109c57-3
0.422
GAB-REV-4a4e2ff3-3
0.415
GAB-REV-4a4e2ff3-15
0.415
MAK-UNK-ec98eaf6-34
0.412
NAU-LAT-81109c57-7
0.412
PAT-UNK-b2d83456-5
0.411
JOH-MSK-d60b0211-1
0.411
TAM-UNI-c140e31a-22
0.410
PET-SGC-1c3a473d-1
0.406
GAB-REV-4a4e2ff3-4
0.404
WAR-XCH-e55cba98-5
0.402
GAB-REV-4a4e2ff3-16
0.400
GAB-REV-4a4e2ff3-7
0.396
GAB-REV-4a4e2ff3-13
0.396
TAM-UNI-c140e31a-16
0.396
DAR-DIA-caba39e3-6
0.392
GAB-REV-4a4e2ff3-10
0.392
GAB-REV-4a4e2ff3-5
0.392
GAB-REV-4a4e2ff3-2
0.390
GAB-REV-4a4e2ff3-9
0.390
GAB-REV-4a4e2ff3-11
0.390
DAR-DIA-fb20be43-14
0.389
HAN-NEW-5f56c3bc-2
0.388
GAB-REV-4a4e2ff3-18
0.388
DAR-DIA-fb20be43-15
0.387
WAR-XCH-e55cba98-2
0.386
ROB-UNI-b2e39629-7
0.384
PAT-UNK-b2d83456-4
0.382
MAK-UNK-be5ffcbc-1
0.382
ROB-UNI-b2e39629-6
0.381
GAB-REV-4a4e2ff3-1
0.380
GAB-REV-4a4e2ff3-17
0.379
JOH-MEM-4bb7e4cc-1
0.378
MAT-GIT-deadff56-1
0.378
DUN-NEW-f8ce3686-12
0.378
JOK-SYG-b9f02a42-3
0.378
JOK-SYG-b9f02a42-1
0.375
SAN-PRS-3c4a6997-1
0.375
DUN-NEW-f8ce3686-11
0.374
GAB-REV-4a4e2ff3-20
0.373
GAB-REV-4a4e2ff3-12
0.371
ROB-UNI-b2e39629-4
0.368
BEN-DND-362d364a-8
0.368
JOK-SYG-b9f02a42-2
0.367
MAR-UCB-195bc32d-21
0.366
ALE-ACE-2610ee4d-1
0.366
JOH-MSK-35a8745a-1
0.366
JOH-MSK-a63bdd1d-4
0.362
MAR-UCB-195bc32d-16
0.362
JOH-MSK-a63bdd1d-5
0.360
JAN-GHE-6413aaf8-5
0.358
DUN-NEW-f8ce3686-24
0.358
FRA-DIA-8640f307-1
0.353
ORN-MSD-5b974918-1
0.347
JOH-MSK-a63bdd1d-1
0.345
DUN-NEW-f8ce3686-10
0.345
CAL-AMP-9edebd8f-1
0.345
DUN-NEW-f8ce3686-21
0.345
ELE-IMP-dfb36048-2
0.345
MAK-UNK-10572812-13
0.342
SAN-PRS-3c4a6997-2
0.342
SCO-VAN-260d9628-6
0.340
WIL-LEE-364b6ea8-13
0.337
JOH-MSK-a63bdd1d-2
0.337