Molecular Properties | |
SMILES: | O=C(CNC(=O)c1cncnc1)Nc1ccc(F)c(F)c1F |
MW: | 310.07 |
Fraction sp3: | 0.08 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 83.98 |
cLogP: | 1.26 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
halogenated ring
Dipeptide
MAR-TRE-c317dd82-63
0.561
MAR-TRE-4f781e27-19
0.529
WIL-UNI-1faa9b10-14
0.521
MAR-TRE-9d18ae8c-48
0.514
MAR-TRE-a9136c7b-28
0.507
MAR-TRE-4f781e27-49
0.500
MAR-TRE-4f781e27-43
0.458
MAR-TRE-a9136c7b-51
0.436
MAR-TRE-92684b97-89
0.434
MAR-TRE-e82e6c98-54
0.423
MAR-TRE-8190bb11-42
0.417
MAR-TRE-e82e6c98-77
0.403
MAR-TRE-799db12b-84
0.400
MAR-TRE-799db12b-39
0.385
MAR-TRE-66ac689e-28
0.377
MAR-TRE-4f781e27-85
0.365
MAR-TRE-8190bb11-95
0.362
MAR-TRE-e82e6c98-50
0.354
MAR-TRE-799db12b-7
0.354
MAR-TRE-8190bb11-1
0.351
MAR-TRE-4f781e27-96
0.350
MAR-TRE-92684b97-78
0.347
MAR-TRE-92684b97-88
0.346
MAR-TRE-e82e6c98-91
0.346
MAR-TRE-92684b97-46
0.345
MAR-TRE-be9ff7d2-11
0.342
MAR-TRE-be9ff7d2-98
0.342
MAR-TRE-be9ff7d2-17
0.342
MAR-TRE-e82e6c98-18
0.341
MAR-TRE-be9ff7d2-39
0.341
MAR-TRE-be9ff7d2-67
0.338
MAR-TRE-8190bb11-85
0.338
MAR-TRE-8190bb11-24
0.338
MAR-TRE-be9ff7d2-41
0.338
MAR-TRE-8190bb11-57
0.338
MAR-TRE-4f781e27-84
0.338
MAR-TRE-a9136c7b-20
0.338
MAR-TRE-4f781e27-15
0.338
MAR-TRE-9d18ae8c-74
0.338
MAR-TRE-e82e6c98-95
0.337
MAR-TRE-a9136c7b-76
0.337
MAR-TRE-c317dd82-23
0.333
MAR-TRE-e82e6c98-68
0.333
MAR-TRE-be9ff7d2-82
0.333
MAR-TRE-92684b97-75
0.333
MAR-TRE-66ac689e-37
0.333
MAR-TRE-be9ff7d2-37
0.329
MAR-TRE-8190bb11-39
0.329
MAR-TRE-be9ff7d2-89
0.329
MAR-TRE-9d18ae8c-53
0.329
MAR-TRE-66ac689e-13
0.329
MAR-TRE-92684b97-11
0.329
MAR-TRE-92684b97-72
0.329
MAR-TRE-8190bb11-37
0.329
MAR-TRE-be9ff7d2-90
0.329
MAR-TRE-8190bb11-13
0.329
MAR-TRE-8190bb11-76
0.326
MAR-TRE-9d18ae8c-7
0.326
MAR-TRE-799db12b-27
0.325
MAR-TRE-8190bb11-88
0.325
MAR-TRE-92684b97-91
0.325
MAR-TRE-4f781e27-28
0.325
MAR-TRE-e82e6c98-57
0.325
MAR-TRE-92684b97-74
0.325
MAR-TRE-8190bb11-18
0.322
MAR-TRE-4f781e27-82
0.322
MAR-TRE-66ac689e-34
0.321
MAR-TRE-be9ff7d2-40
0.321
MAR-TRE-799db12b-35
0.321
MAR-TRE-8190bb11-96
0.321
MAR-TRE-4f781e27-99
0.321
MAR-TRE-9d18ae8c-89
0.321
MAR-TRE-e82e6c98-76
0.321
MAR-TRE-799db12b-24
0.318
MAR-TRE-66ac689e-74
0.318
MAR-TRE-9d18ae8c-54
0.318
MAR-TRE-799db12b-33
0.318
MAR-TRE-66ac689e-50
0.317
MAR-TRE-8190bb11-92
0.317
MAR-TRE-799db12b-61
0.316
MAR-TRE-8190bb11-50
0.316
MAR-TRE-66ac689e-59
0.316
MAR-TRE-4f781e27-70
0.316
MAR-TRE-9d18ae8c-10
0.315
MAR-TRE-9d18ae8c-49
0.315
MAR-TRE-8190bb11-68
0.314
MAR-TRE-4f781e27-92
0.313
MAR-TRE-c317dd82-39
0.313
MAR-TRE-a9136c7b-34
0.313
MAR-TRE-be9ff7d2-43
0.312
MAR-TRE-a9136c7b-36
0.312
MAR-TRE-e82e6c98-47
0.312
MAR-TRE-92684b97-52
0.312
MAR-TRE-e82e6c98-14
0.310
MAR-TRE-799db12b-16
0.310
MAR-TRE-8190bb11-86
0.310
MAR-TRE-8190bb11-87
0.310
MAR-TRE-4f781e27-68
0.310
MAR-TRE-8190bb11-73
0.310
MAR-TRE-92684b97-82
0.310