Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c(C(=O)N3CCN(C(=O)CCl)CC3)cc(F)cc12 |
MW: | 408.861 |
Fraction sp3: | 0.42 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 85.51 |
cLogP: | 1.5088 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
MAK-UNK-be5ffcbc-9
0.608
STU-CHA-bc0a9883-1
0.600
JOK-SYG-302da050-1
0.600
NAU-LAT-f723e322-1
0.600
DAR-DIA-fb20be43-11
0.600
NIR-THE-0d6461ce-3
0.598
NIR-THE-0d6461ce-2
0.568
DAR-DIA-fb20be43-15
0.511
JOK-SYG-b9f02a42-1
0.511
DAR-DIA-fb20be43-14
0.495
MAK-UNK-ec98eaf6-33
0.489
MAK-UNK-ec98eaf6-34
0.485
JOK-SYG-b9f02a42-2
0.484
JOK-SYG-b9f02a42-3
0.479
DUN-NEW-f8ce3686-24
0.478
DAR-DIA-caba39e3-6
0.475
MAK-UNK-be5ffcbc-6
0.466
MAK-UNK-be5ffcbc-2
0.461
NAU-LAT-f723e322-2
0.457
MAK-UNK-be5ffcbc-4
0.456
JOK-SYG-b7365cd7-1
0.455
SAM-UNK-903735bd-1
0.451
MAK-UNK-be5ffcbc-5
0.447
GAB-REV-4a4e2ff3-19
0.439
WIL-LEE-1f71e281-6
0.437
SIM-DEM-265738e1-1
0.432
PET-SGC-f818f65b-1
0.432
ELE-IMP-dfb36048-1
0.432
TAM-UNI-c140e31a-15
0.432
SAM-UNK-903735bd-2
0.432
MED-COV-4280ac29-21
0.430
GAB-REV-4a4e2ff3-14
0.429
MAK-UNK-10572812-12
0.426
PAU-WEI-f734c343-1
0.423
TAM-UNI-c140e31a-2
0.421
PAU-WEI-b9b69149-7
0.419
GAB-REV-4a4e2ff3-4
0.417
PAU-WEI-b9b69149-8
0.411
GAB-REV-4a4e2ff3-21
0.411
AAR-POS-d2a4d1df-2
0.410
PAU-WEI-b9b69149-9
0.409
ASH-UNK-40b46b30-5
0.404
LON-WEI-af038623-6
0.404
GAB-REV-4a4e2ff3-6
0.400
GAB-REV-4a4e2ff3-15
0.400
GAB-REV-4a4e2ff3-13
0.396
PAT-UNK-b2d83456-5
0.396
JOH-MSK-d60b0211-1
0.396
NAU-LAT-81109c57-5
0.396
NIR-THE-c331be7a-3
0.394
SAN-PRS-3c4a6997-1
0.393
HAN-NEW-5f56c3bc-4
0.393
DAR-DIA-caba39e3-5
0.393
PET-SGC-1c3a473d-1
0.392
GAB-REV-4a4e2ff3-8
0.392
NAU-LAT-81109c57-3
0.392
WAR-XCH-e55cba98-3
0.390
TAM-UNI-d1c3dd9f-19
0.388
WAR-XCH-e55cba98-2
0.387
PAT-UNK-b2d83456-4
0.383
MAK-UNK-10799360-31
0.382
DAR-DIA-caba39e3-4
0.382
GAB-REV-4a4e2ff3-10
0.380
MAK-UNK-ec98eaf6-41
0.378
ASH-UNK-40b46b30-7
0.376
WAR-XCH-e55cba98-5
0.376
TAM-UNI-c140e31a-3
0.375
GAB-REV-4a4e2ff3-3
0.373
NAU-LAT-81109c57-7
0.371
JOK-SYG-302da050-2
0.371
GAB-REV-4a4e2ff3-7
0.370
GAB-REV-4a4e2ff3-1
0.368
ROB-UNI-b2e39629-6
0.367
GAB-REV-4a4e2ff3-5
0.365
GAB-REV-4a4e2ff3-11
0.364
DUN-NEW-f8ce3686-21
0.363
GAB-REV-4a4e2ff3-18
0.362
GAB-REV-4a4e2ff3-16
0.361
GAB-REV-4a4e2ff3-20
0.361
DAR-DIA-fb20be43-10
0.360
JAN-GHE-6413aaf8-5
0.360
TAM-UNI-c140e31a-22
0.358
ROB-UNI-b2e39629-4
0.355
BEN-DND-362d364a-8
0.355
GAB-REV-4a4e2ff3-17
0.355
TAM-UNI-d1c3dd9f-20
0.354
MAK-UNK-ec98eaf6-47
0.352
GAB-REV-4a4e2ff3-2
0.352
GAB-REV-4a4e2ff3-9
0.352
DRR-IMP-db50bf6e-1
0.350
JOH-MSK-a63bdd1d-4
0.349
MAR-UCB-195bc32d-16
0.349
MAK-UNK-72b7ba6b-1
0.349
MAK-UNK-176ca439-5
0.349
GAB-REV-4a4e2ff3-12
0.348
DUN-NEW-f8ce3686-11
0.347
FRA-DIA-8640f307-1
0.344
HAN-NEW-5f56c3bc-2
0.344
JAR-IMP-ed466bb3-19
0.342
ROB-UNI-b2e39629-7
0.340