Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c(CN3CCN(C(=O)CCl)CC3)cc(F)cc12 |
MW: | 394.878 |
Fraction sp3: | 0.47 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 68.44 |
cLogP: | 1.8686 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
NAU-LAT-f723e322-1
1.000
STU-CHA-bc0a9883-1
1.000
DAR-DIA-fb20be43-11
1.000
NAU-LAT-f723e322-2
0.756
DAR-DIA-fb20be43-15
0.744
JOK-SYG-b9f02a42-1
0.716
DAR-DIA-fb20be43-14
0.716
MAK-UNK-be5ffcbc-2
0.711
MAK-UNK-be5ffcbc-4
0.701
JOK-SYG-b9f02a42-2
0.699
SAM-UNK-903735bd-1
0.692
JOK-SYG-b9f02a42-3
0.690
NIR-THE-0d6461ce-2
0.663
JOK-SYG-302da050-2
0.642
DUN-NEW-f8ce3686-24
0.639
NAU-LAT-81109c57-6
0.600
NIR-THE-0d6461ce-3
0.598
BEN-VAN-d8fd1356-22
0.582
PAT-UNK-b2d83456-5
0.576
JOH-MSK-d60b0211-1
0.576
BEN-VAN-d8fd1356-21
0.564
MAK-UNK-ec98eaf6-33
0.538
WIL-LEE-1f71e281-6
0.524
ELE-IMP-dfb36048-1
0.518
PET-SGC-f818f65b-1
0.518
SIM-DEM-265738e1-1
0.518
TAM-UNI-c140e31a-15
0.518
SAM-UNK-903735bd-2
0.518
PAT-UNK-b2d83456-4
0.512
TAM-UNI-c140e31a-2
0.500
SCO-VAN-260d9628-6
0.494
MAK-UNK-be5ffcbc-9
0.487
MAK-UNK-ec98eaf6-34
0.485
ASH-UNK-40b46b30-5
0.483
DAR-DIA-fb20be43-10
0.478
JAN-GHE-6413aaf8-5
0.478
GAB-REV-4a4e2ff3-15
0.474
GAB-REV-4a4e2ff3-8
0.467
MAK-UNK-be5ffcbc-6
0.466
PET-SGC-1c3a473d-1
0.464
DAR-DIA-caba39e3-6
0.461
GAB-REV-4a4e2ff3-4
0.460
BEN-VAN-d8fd1356-24
0.459
TAM-UNI-d1c3dd9f-20
0.457
JOK-SYG-b7365cd7-1
0.455
TAM-UNI-d1c3dd9f-19
0.447
GAB-REV-4a4e2ff3-3
0.443
NAU-LAT-81109c57-7
0.440
GAB-REV-4a4e2ff3-1
0.436
MAK-UNK-be5ffcbc-5
0.432
MED-COV-4280ac29-21
0.430
GAB-REV-4a4e2ff3-14
0.429
GAB-REV-4a4e2ff3-21
0.426
JOO-PER-d7ab4f65-1
0.423
LON-WEI-af038623-6
0.419
DUN-NEW-f8ce3686-11
0.419
GAB-REV-4a4e2ff3-6
0.415
MAK-UNK-10572812-12
0.413
GAB-REV-4a4e2ff3-19
0.410
GAB-REV-4a4e2ff3-13
0.410
PAU-WEI-f734c343-1
0.410
DAR-DIA-fb20be43-13
0.408
NAU-LAT-81109c57-3
0.406
PAU-WEI-b9b69149-7
0.406
HAN-NEW-5f56c3bc-4
0.406
ORN-MSD-5b974918-1
0.404
GAB-REV-4a4e2ff3-18
0.402
DAR-DIA-fb20be43-1
0.400
PAU-WEI-b9b69149-8
0.398
DAR-DIA-fb20be43-2
0.398
PAU-WEI-b9b69149-9
0.396
NAU-LAT-81109c57-5
0.396
DUN-NEW-f8ce3686-21
0.393
AAR-POS-d2a4d1df-2
0.393
MAK-UNK-ec98eaf6-47
0.392
SAM-UNK-83e03154-1
0.392
BEN-VAN-d8fd1356-23
0.391
ASH-UNK-40b46b30-7
0.390
TAM-UNI-c140e31a-3
0.388
SAD-SAT-65574d3f-10
0.388
GAB-REV-4a4e2ff3-16
0.387
MAK-UNK-176ca439-5
0.387
MAK-UNK-72b7ba6b-1
0.387
BEN-DND-362d364a-8
0.385
ROB-UNI-b2e39629-4
0.385
ROB-UNI-b2e39629-6
0.382
NIR-THE-c331be7a-3
0.382
SEL-UNI-cd366922-8
0.380
GAB-REV-4a4e2ff3-10
0.380
DAR-DIA-caba39e3-5
0.380
GAB-REV-4a4e2ff3-5
0.379
MAK-UNK-7c9d1431-20
0.378
SAD-SAT-581007d4-1
0.378
MAK-UNK-176ca439-2
0.378
WAR-XCH-e55cba98-3
0.377
GAB-REV-4a4e2ff3-11
0.377
WAR-XCH-e55cba98-2
0.374
GAB-REV-4a4e2ff3-20
0.374
HAN-NEW-5f56c3bc-2
0.374
BEN-VAN-d8fd1356-20
0.374