Molecular Properties | |
SMILES: | O=C(NCC(Cc1ccc(F)cc1)C(=O)O)c1cncnc1 |
MW: | 303.1 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 92.18 |
cLogP: | 1.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-92684b97-72
0.746
MAR-TRE-4f781e27-36
0.710
MAR-TRE-92684b97-91
0.662
MAR-TRE-8190bb11-18
0.614
MAR-TRE-92684b97-47
0.597
MAR-TRE-8190bb11-76
0.493
MAR-TRE-92684b97-46
0.480
MAR-TRE-4f781e27-85
0.478
MAR-TRE-4f781e27-84
0.464
MAR-TRE-92684b97-41
0.464
MAR-TRE-92684b97-88
0.451
MAR-TRE-92684b97-78
0.397
MAR-TRE-8190bb11-68
0.388
MAR-TRE-66ac689e-58
0.380
MAR-TRE-66ac689e-62
0.380
MAR-TRE-8190bb11-95
0.372
MAR-TRE-be9ff7d2-49
0.370
MAR-TRE-8190bb11-42
0.370
MAR-TRE-e82e6c98-14
0.367
MAR-TRE-8190bb11-24
0.366
MAR-TRE-8190bb11-85
0.366
MAR-TRE-9d18ae8c-7
0.366
MAR-TRE-4f781e27-99
0.365
MAR-TRE-92684b97-51
0.365
MAR-TRE-9d18ae8c-89
0.365
MAR-TRE-66ac689e-98
0.364
MAR-TRE-66ac689e-100
0.364
MAR-TRE-4f781e27-24
0.360
MAR-TRE-799db12b-96
0.360
MAR-TRE-66ac689e-85
0.359
MAR-TRE-799db12b-48
0.358
MAR-TRE-92684b97-52
0.356
MAR-TRE-8190bb11-13
0.356
MAR-TRE-be9ff7d2-43
0.355
MAR-TRE-66ac689e-95
0.355
MAR-TRE-e82e6c98-91
0.354
MAR-TRE-66ac689e-94
0.354
MAR-TRE-9d18ae8c-91
0.353
MAR-TRE-66ac689e-42
0.351
MAR-TRE-799db12b-66
0.351
MAR-TRE-4f781e27-77
0.350
MAR-TRE-e82e6c98-8
0.350
MAR-TRE-799db12b-95
0.347
MAR-TRE-4f781e27-49
0.347
MAR-TRE-799db12b-35
0.347
MAR-TRE-c317dd82-63
0.347
MAR-TRE-9d18ae8c-87
0.347
MAR-TRE-66ac689e-81
0.346
MAR-TRE-92684b97-15
0.346
MAR-TRE-be9ff7d2-84
0.346
MAR-TRE-e82e6c98-95
0.346
MAR-TRE-799db12b-87
0.346
MAR-TRE-8190bb11-50
0.342
MAR-TRE-8190bb11-97
0.342
MAR-TRE-e82e6c98-20
0.342
MAR-TRE-e82e6c98-56
0.342
MAR-TRE-be9ff7d2-86
0.342
MAR-TRE-66ac689e-74
0.341
MAR-TRE-66ac689e-87
0.341
MAR-TRE-be9ff7d2-90
0.338
MAR-TRE-e82e6c98-54
0.338
MAR-TRE-e82e6c98-77
0.338
MAR-TRE-799db12b-84
0.338
MAR-TRE-92684b97-11
0.338
MAR-TRE-66ac689e-20
0.338
MAR-TRE-a9136c7b-78
0.337
MAR-TRE-8190bb11-17
0.337
MAR-TRE-be9ff7d2-37
0.337
MAR-TRE-a9136c7b-5
0.337
MAR-TRE-92684b97-10
0.337
MAR-TRE-a9136c7b-33
0.333
MAR-TRE-66ac689e-86
0.333
MAR-TRE-8190bb11-86
0.333
MAR-TRE-4f781e27-28
0.333
MAR-TRE-4f781e27-39
0.333
MAR-TRE-4f781e27-56
0.333
MAR-TRE-66ac689e-12
0.333
MAR-TRE-be9ff7d2-47
0.333
MAR-TRE-c317dd82-35
0.333
MAR-TRE-be9ff7d2-7
0.333
MAR-TRE-66ac689e-34
0.329
MAR-TRE-4f781e27-65
0.329
MAR-TRE-66ac689e-26
0.329
MAR-TRE-92684b97-26
0.329
MAR-TRE-e82e6c98-76
0.329
MAR-TRE-8190bb11-96
0.329
MAR-TRE-be9ff7d2-67
0.329
MAR-TRE-66ac689e-19
0.326
MAR-TRE-8190bb11-23
0.326
MAR-TRE-be9ff7d2-9
0.326
MAR-TRE-66ac689e-48
0.325
MAR-TRE-92684b97-44
0.325
MAR-TRE-4f781e27-42
0.325
MAR-TRE-799db12b-61
0.325
MAR-TRE-e82e6c98-68
0.324
MAR-TRE-4f781e27-94
0.322
MAR-TRE-9d18ae8c-10
0.322
MAR-TRE-8190bb11-80
0.321
MAR-TRE-be9ff7d2-89
0.321
MAR-TRE-4f781e27-92
0.321