Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c(NC(=O)Nc3cccnc3)cc(F)cc12 |
MW: | 355.14 |
Fraction sp3: | 0.17 |
HBA: | 3 |
HBD: | 4 |
Rotatable Bonds: | 5 |
TPSA: | 98.91 |
cLogP: | 3.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
TAM-UNI-c140e31a-3
0.698
TAM-UNI-c140e31a-22
0.557
GAB-REV-4a4e2ff3-14
0.547
GAB-REV-4a4e2ff3-21
0.539
GAB-REV-4a4e2ff3-11
0.520
GAB-REV-4a4e2ff3-13
0.516
LON-WEI-af038623-6
0.500
NAU-LAT-81109c57-3
0.500
GAB-REV-4a4e2ff3-6
0.495
GAB-REV-4a4e2ff3-18
0.490
MAK-UNK-37f1d6fa-1
0.481
WAR-XCH-e55cba98-3
0.475
TAM-UNI-c140e31a-2
0.468
PET-SGC-1c3a473d-1
0.465
GAB-REV-4a4e2ff3-16
0.456
MAK-UNK-37f1d6fa-7
0.456
MAK-UNK-ec98eaf6-34
0.455
GAB-REV-4a4e2ff3-12
0.453
MAK-UNK-be5ffcbc-9
0.452
NIR-THE-0d6461ce-3
0.449
MAK-UNK-37f1d6fa-6
0.448
GAB-REV-4a4e2ff3-20
0.442
NAU-LAT-81109c57-7
0.441
MAK-UNK-be5ffcbc-6
0.435
NAU-LAT-81109c57-5
0.427
WIL-LEE-1f71e281-6
0.422
GAB-REV-4a4e2ff3-5
0.422
TAM-UNI-c140e31a-15
0.418
SAM-UNK-903735bd-2
0.418
SIM-DEM-265738e1-1
0.418
PET-SGC-f818f65b-1
0.418
ELE-IMP-dfb36048-1
0.418
GAB-REV-4a4e2ff3-3
0.416
TAM-UNI-c140e31a-19
0.414
GAB-REV-4a4e2ff3-7
0.411
SAD-SAT-f25ee457-7
0.411
GAB-REV-4a4e2ff3-1
0.410
JOK-SYG-b7365cd7-1
0.409
BAR-COM-5694a99d-2
0.409
CHA-MCP-85291e1d-1
0.407
ASH-UNK-40b46b30-5
0.406
SAM-UNK-903735bd-1
0.406
WAR-XCH-6eb0722e-5
0.406
GAB-REV-4a4e2ff3-9
0.406
MAK-UNK-10572812-12
0.402
MAK-UNK-be5ffcbc-2
0.400
DUN-NEW-f8ce3686-8
0.400
MAK-UNK-129dcd6f-5
0.398
BAR-COM-5694a99d-4
0.398
MAK-UNK-be5ffcbc-4
0.396
AAR-POS-d2a4d1df-2
0.395
GAB-REV-4a4e2ff3-17
0.394
GAB-REV-4a4e2ff3-8
0.394
WAR-XCH-6eb0722e-6
0.394
MAK-UNK-d1e89583-8
0.393
STU-CHA-bc0a9883-1
0.390
NAU-LAT-f723e322-1
0.390
JOK-SYG-302da050-1
0.390
DAR-DIA-fb20be43-11
0.390
WAR-XCH-e55cba98-2
0.389
GAB-REV-4a4e2ff3-15
0.388
WAR-XCH-6eb0722e-4
0.388
NAU-LAT-f723e322-2
0.386
IAN-BAS-df1706d7-1
0.385
WAR-XCH-6eb0722e-1
0.384
NIR-THE-0d6461ce-2
0.382
MAK-UNK-37f1d6fa-4
0.382
DAR-DIA-caba39e3-6
0.382
NAU-LAT-30527ac5-5
0.381
NAU-LAT-0543f7f2-3
0.381
SAD-SAT-689b7d5a-8
0.380
TAM-UNI-c140e31a-21
0.380
GAB-REV-4a4e2ff3-2
0.380
GAB-REV-4a4e2ff3-4
0.380
JIA-UNI-12b1f9ae-1
0.378
MAK-UNK-be5ffcbc-5
0.376
NAU-LAT-81109c57-6
0.376
WAR-XCH-6eb0722e-2
0.376
MAK-UNK-ec98eaf6-33
0.375
WIL-UNI-5578df48-14
0.374
SAD-SAT-689b7d5a-5
0.372
GAB-REV-4a4e2ff3-19
0.371
MAK-UNK-37f1d6fa-2
0.371
GAB-REV-4a4e2ff3-10
0.369
WAR-XCH-6eb0722e-3
0.369
AAR-POS-d2a4d1df-11
0.367
MAK-UNK-d1e89583-4
0.365
MAK-UNK-129dcd6f-2
0.365
BAR-COM-21d20d65-9
0.365
BAR-COM-5694a99d-3
0.365
MAR-TRE-c317dd82-56
0.364
MAK-UNK-129dcd6f-3
0.362
BAR-COM-21d20d65-5
0.361
BAR-COM-5694a99d-5
0.361
BAR-COM-5694a99d-1
0.361
MAK-UNK-d1e89583-2
0.360
NAU-LAT-30527ac5-4
0.360
SAD-SAT-cefd50cc-1
0.360
PAT-UNK-b2d83456-4
0.357
JOR-UNI-61e7b1d5-1
0.354