Molecular Properties | |
SMILES: | O=C(NC1(c2cccc(F)c2)CCOCC1)c1cncnc1 |
MW: | 301.12 |
Fraction sp3: | 0.31 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 64.11 |
cLogP: | 2.05 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-8190bb11-20
0.723
MAR-TRE-4f781e27-33
0.529
MAR-TRE-a9136c7b-27
0.513
MAR-TRE-e82e6c98-66
0.507
MAR-TRE-be9ff7d2-66
0.486
MAR-TRE-92684b97-19
0.480
MAR-TRE-c317dd82-62
0.468
MAR-TRE-be9ff7d2-79
0.468
MAR-TRE-e82e6c98-83
0.466
MAR-TRE-a9136c7b-97
0.462
MAR-TRE-66ac689e-5
0.449
MAR-TRE-be9ff7d2-76
0.440
MAR-TRE-be9ff7d2-2
0.439
MAR-TRE-4f781e27-21
0.425
MAR-TRE-92684b97-95
0.403
MAR-TRE-66ac689e-68
0.392
MAR-TRE-8190bb11-36
0.385
MAR-TRE-9d18ae8c-96
0.361
MAR-TRE-e82e6c98-55
0.359
MAR-TRE-c317dd82-37
0.357
MAR-TRE-66ac689e-55
0.349
MAR-TRE-92684b97-31
0.349
MAR-TRE-799db12b-34
0.349
MAR-TRE-4f781e27-53
0.348
MAR-TRE-92684b97-91
0.345
MAR-TRE-be9ff7d2-54
0.341
MAR-TRE-92684b97-4
0.341
MAR-TRE-c317dd82-86
0.337
MAR-TRE-92684b97-18
0.337
MAR-TRE-799db12b-75
0.337
MAR-TRE-9d18ae8c-42
0.333
MAR-TRE-8190bb11-39
0.333
MAR-TRE-e82e6c98-91
0.333
MAR-TRE-92684b97-14
0.333
MAR-TRE-92684b97-52
0.333
MAR-TRE-9d18ae8c-27
0.333
MAR-TRE-9d18ae8c-39
0.333
MAR-TRE-4f781e27-35
0.329
MAR-TRE-e82e6c98-1
0.329
MAR-TRE-c317dd82-53
0.329
MAR-TRE-9d18ae8c-61
0.329
MAR-TRE-e82e6c98-95
0.326
MAR-TRE-66ac689e-90
0.326
MAR-TRE-8190bb11-56
0.325
MAR-TRE-e82e6c98-41
0.325
MAR-TRE-c317dd82-40
0.321
MAR-TRE-799db12b-96
0.321
MAR-TRE-9d18ae8c-72
0.321
MAR-TRE-9d18ae8c-76
0.321
MAR-TRE-9d18ae8c-95
0.321
MAR-TRE-a9136c7b-26
0.319
MAR-TRE-a9136c7b-7
0.319
MAR-TRE-9d18ae8c-10
0.319
MAR-TRE-c317dd82-25
0.318
MAR-TRE-a9136c7b-65
0.318
MAR-TRE-9d18ae8c-13
0.318
MAR-TRE-66ac689e-8
0.318
MAR-TRE-66ac689e-94
0.318
MAR-TRE-92684b97-76
0.317
MAR-TRE-9d18ae8c-33
0.317
MAR-TRE-8190bb11-71
0.316
MAR-TRE-c317dd82-68
0.316
MAR-TRE-9d18ae8c-68
0.314
MAR-TRE-a9136c7b-33
0.313
MAR-TRE-799db12b-55
0.313
MAR-TRE-92684b97-17
0.312
MAR-TRE-92684b97-35
0.312
MAR-TRE-be9ff7d2-91
0.311
MAR-TRE-c317dd82-12
0.311
MAR-TRE-66ac689e-61
0.310
MAR-TRE-92684b97-73
0.310
MAR-TRE-799db12b-59
0.307
MAR-TRE-be9ff7d2-86
0.306
MAR-TRE-66ac689e-83
0.306
MAR-TRE-66ac689e-41
0.305
MAR-TRE-92684b97-77
0.305
MAR-TRE-66ac689e-58
0.304
MAR-TRE-66ac689e-62
0.304
MAR-TRE-799db12b-58
0.303
MAR-TRE-e82e6c98-53
0.303
MAR-TRE-9d18ae8c-32
0.303
MAR-TRE-799db12b-15
0.302
MAR-TRE-c317dd82-18
0.301
MAR-TRE-66ac689e-1
0.300
MAR-TRE-c317dd82-96
0.300
MAR-TRE-a9136c7b-17
0.300
MAR-TRE-8190bb11-83
0.300
MAR-TRE-8190bb11-100
0.300
MAR-TRE-4f781e27-67
0.300
MAR-TRE-92684b97-50
0.300
MAR-TRE-c317dd82-4
0.299
MAR-TRE-c317dd82-47
0.298
MAR-TRE-a9136c7b-63
0.298
MAR-TRE-66ac689e-42
0.298
MAR-TRE-4f781e27-14
0.298
MAR-TRE-66ac689e-93
0.298
MAR-TRE-8190bb11-22
0.298
MAR-TRE-c317dd82-76
0.298
MAR-TRE-8190bb11-28
0.296
MAR-TRE-8190bb11-59
0.296