Molecular Properties | |
SMILES: | O=C(NCC1(F)CCC(C(=O)O)CC1)c1cncnc1 |
MW: | 281.12 |
Fraction sp3: | 0.54 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 92.18 |
cLogP: | 1.19 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-4f781e27-22
0.603
MAR-TRE-e82e6c98-22
0.408
MAR-TRE-a9136c7b-7
0.400
MAR-TRE-e82e6c98-8
0.400
MAR-TRE-9d18ae8c-76
0.397
MAR-TRE-be9ff7d2-54
0.395
MAR-TRE-c317dd82-86
0.392
MAR-TRE-c317dd82-40
0.392
MAR-TRE-9d18ae8c-96
0.385
MAR-TRE-c317dd82-4
0.382
MAR-TRE-be9ff7d2-41
0.380
MAR-TRE-be9ff7d2-70
0.378
MAR-TRE-c317dd82-37
0.377
MAR-TRE-4f781e27-76
0.373
MAR-TRE-c317dd82-68
0.373
MAR-TRE-92684b97-14
0.368
MAR-TRE-8190bb11-39
0.367
MAR-TRE-c317dd82-25
0.367
MAR-TRE-8190bb11-42
0.366
MAR-TRE-be9ff7d2-19
0.365
MAR-TRE-be9ff7d2-67
0.364
MAR-TRE-4f781e27-49
0.362
MAR-TRE-9d18ae8c-31
0.361
MAR-TRE-be9ff7d2-91
0.358
MAR-TRE-c317dd82-12
0.358
MAR-TRE-e82e6c98-68
0.357
MAR-TRE-92684b97-75
0.356
MAR-TRE-4f781e27-33
0.356
MAR-TRE-e82e6c98-35
0.355
MAR-TRE-e82e6c98-40
0.354
MAR-TRE-9d18ae8c-34
0.354
MAR-TRE-92684b97-78
0.353
MAR-TRE-9d18ae8c-39
0.353
MAR-TRE-e82e6c98-47
0.352
MAR-TRE-92684b97-72
0.351
MAR-TRE-e82e6c98-48
0.351
MAR-TRE-9d18ae8c-13
0.350
MAR-TRE-4f781e27-53
0.349
MAR-TRE-9d18ae8c-61
0.348
MAR-TRE-92684b97-57
0.348
MAR-TRE-be9ff7d2-74
0.348
MAR-TRE-9d18ae8c-71
0.347
MAR-TRE-be9ff7d2-49
0.347
MAR-TRE-4f781e27-77
0.346
MAR-TRE-be9ff7d2-14
0.346
MAR-TRE-9d18ae8c-16
0.345
MAR-TRE-e82e6c98-41
0.343
MAR-TRE-e82e6c98-55
0.342
MAR-TRE-e82e6c98-76
0.342
MAR-TRE-a9136c7b-97
0.342
MAR-TRE-799db12b-7
0.342
MAR-TRE-8190bb11-46
0.342
MAR-TRE-4f781e27-65
0.342
MAR-TRE-be9ff7d2-95
0.341
MAR-TRE-c317dd82-47
0.341
MAR-TRE-9d18ae8c-95
0.338
MAR-TRE-e82e6c98-83
0.338
MAR-TRE-8190bb11-33
0.338
MAR-TRE-e82e6c98-56
0.338
MAR-TRE-be9ff7d2-60
0.338
MAR-TRE-e82e6c98-10
0.338
MAR-TRE-e82e6c98-36
0.338
MAR-TRE-e82e6c98-85
0.337
MAR-TRE-799db12b-4
0.337
MAR-TRE-9d18ae8c-36
0.333
MAR-TRE-9d18ae8c-66
0.333
MAR-TRE-be9ff7d2-69
0.333
MAR-TRE-4f781e27-41
0.333
MAR-TRE-4f781e27-21
0.333
MAR-TRE-4f781e27-85
0.333
MAR-TRE-9d18ae8c-32
0.333
MAR-TRE-c317dd82-6
0.333
MAR-TRE-be9ff7d2-76
0.333
MAR-TRE-e82e6c98-77
0.333
MAR-TRE-799db12b-54
0.333
MAR-TRE-66ac689e-20
0.333
MAR-TRE-8190bb11-2
0.333
MAR-TRE-92684b97-11
0.333
MAR-TRE-c317dd82-49
0.330
MAR-TRE-be9ff7d2-77
0.329
MAR-TRE-be9ff7d2-99
0.329
MAR-TRE-92684b97-91
0.329
MAR-TRE-e82e6c98-61
0.329
MAR-TRE-799db12b-89
0.329
MAR-TRE-4f781e27-7
0.329
MAR-TRE-e82e6c98-1
0.329
MAR-TRE-4f781e27-28
0.329
MAR-TRE-92684b97-39
0.329
MAR-TRE-be9ff7d2-11
0.329
MAR-TRE-be9ff7d2-38
0.329
MAR-TRE-92684b97-74
0.329
MAR-TRE-e82e6c98-26
0.329
MAR-TRE-c317dd82-31
0.326
MAR-TRE-c317dd82-78
0.326
MAR-TRE-a9136c7b-83
0.326
MAR-TRE-799db12b-51
0.325
MAR-TRE-92684b97-73
0.325
MAR-TRE-e82e6c98-2
0.325
MAR-TRE-be9ff7d2-81
0.325
MAR-TRE-799db12b-52
0.325