Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c(C(Nc3cccnc3)C(=O)Nc3ccncc3)cc(F)cc12 |
MW: | 446.486 |
Fraction sp3: | 0.17 |
HBA: | 5 |
HBD: | 4 |
Rotatable Bonds: | 8 |
TPSA: | 111.8 |
cLogP: | 3.5675 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
TAM-UNI-c140e31a-21
0.717
ASH-UNK-40b46b30-7
0.557
TAM-UNI-c140e31a-2
0.531
TAM-UNI-c140e31a-3
0.505
WAR-XCH-e55cba98-3
0.450
JOK-SYG-b7365cd7-1
0.443
PET-SGC-1c3a473d-1
0.439
GAB-REV-4a4e2ff3-14
0.434
NAU-LAT-81109c57-7
0.431
MAK-UNK-be5ffcbc-9
0.424
GAB-REV-4a4e2ff3-11
0.411
MAK-UNK-be5ffcbc-6
0.410
MAK-UNK-be5ffcbc-5
0.410
TAM-UNI-c140e31a-15
0.408
ELE-IMP-dfb36048-1
0.408
PET-SGC-f818f65b-1
0.408
SAM-UNK-903735bd-2
0.408
SIM-DEM-265738e1-1
0.408
NAU-LAT-81109c57-5
0.404
GAB-REV-4a4e2ff3-21
0.404
GAB-REV-4a4e2ff3-7
0.404
SAM-UNK-903735bd-1
0.398
WIL-LEE-1f71e281-6
0.398
WAR-XCH-e55cba98-2
0.395
GAB-REV-4a4e2ff3-3
0.394
MAK-UNK-be5ffcbc-2
0.392
GAB-REV-4a4e2ff3-5
0.387
NAU-LAT-81109c57-3
0.387
GAB-REV-4a4e2ff3-8
0.387
ASH-UNK-40b46b30-5
0.385
LON-WEI-af038623-6
0.385
MAK-UNK-10572812-12
0.383
GAB-REV-4a4e2ff3-6
0.381
GAB-REV-4a4e2ff3-13
0.378
GAB-REV-4a4e2ff3-1
0.377
MAK-UNK-37f1d6fa-6
0.376
FRA-DIA-8640f307-1
0.375
MAK-UNK-be5ffcbc-4
0.375
GAB-REV-4a4e2ff3-4
0.374
MAK-UNK-37f1d6fa-7
0.371
GAB-REV-4a4e2ff3-15
0.369
ROB-UNI-b2e39629-6
0.364
NIR-THE-0d6461ce-2
0.364
GAB-REV-4a4e2ff3-2
0.362
GAB-REV-4a4e2ff3-9
0.362
GAB-REV-4a4e2ff3-18
0.360
GAB-REV-4a4e2ff3-20
0.359
AAR-POS-d2a4d1df-2
0.358
NAU-LAT-81109c57-6
0.358
STU-CHA-bc0a9883-1
0.358
JOK-SYG-302da050-1
0.358
NAU-LAT-f723e322-1
0.358
DAR-DIA-fb20be43-11
0.358
MAK-UNK-ec98eaf6-33
0.357
NAU-LAT-f723e322-2
0.355
DUN-NEW-f8ce3686-8
0.355
ROB-UNI-b2e39629-7
0.353
GAB-REV-4a4e2ff3-10
0.353
NAU-LAT-30527ac5-5
0.351
NAU-LAT-0543f7f2-3
0.351
GAB-REV-4a4e2ff3-16
0.347
MAK-UNK-37f1d6fa-1
0.347
TAM-UNI-c140e31a-20
0.343
GAB-REV-4a4e2ff3-19
0.342
DAR-DIA-caba39e3-6
0.342
GAB-REV-4a4e2ff3-17
0.342
NIR-THE-0d6461ce-3
0.336
GAB-REV-4a4e2ff3-12
0.336
MAR-TRE-c317dd82-56
0.333
DUN-NEW-f8ce3686-11
0.333
MAK-UNK-ec98eaf6-34
0.333
MAK-UNK-37f1d6fa-4
0.331
PAU-WEI-b9b69149-7
0.331
CHA-MCP-85291e1d-1
0.330
WAR-XCH-e55cba98-5
0.328
PAU-WEI-b9b69149-9
0.325
NAU-LAT-30527ac5-4
0.322
ELE-IMP-dfb36048-2
0.320
DUN-NEW-f8ce3686-10
0.320
CAL-AMP-9edebd8f-1
0.320
DUN-NEW-f8ce3686-21
0.320
SHR-UNK-cde60afe-1
0.320
MAR-UCB-195bc32d-16
0.320
JOH-MSK-a63bdd1d-4
0.320
MAK-UNK-37f1d6fa-3
0.319
FRA-DIA-8640f307-3
0.319
MAK-UNK-d1e89583-8
0.317
SAN-PRS-3c4a6997-1
0.316
PAT-UNK-b2d83456-4
0.315
PAU-WEI-b9b69149-8
0.315
MAK-UNK-ec98eaf6-54
0.312
MAK-UNK-ec98eaf6-56
0.308
MAK-UNK-37f1d6fa-2
0.308
DUN-NEW-f8ce3686-12
0.307
JOH-MEM-4bb7e4cc-1
0.307
MAT-GIT-deadff56-1
0.307
FRA-DIA-8640f307-2
0.307
HAN-NEW-5f56c3bc-2
0.305
PAT-UNK-b2d83456-5
0.304
JOH-MSK-d60b0211-1
0.304