Molecular Properties | |
SMILES: | O=C(NCc1c(F)ccc2[nH]cnc12)c1cncnc1 |
MW: | 271.09 |
Fraction sp3: | 0.08 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 83.56 |
cLogP: | 1.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-be9ff7d2-67
0.414
MAR-TRE-8190bb11-42
0.413
MAR-TRE-66ac689e-74
0.398
MAR-TRE-9d18ae8c-74
0.388
MAR-TRE-92684b97-78
0.384
MAR-TRE-4f781e27-100
0.383
MAR-TRE-92684b97-74
0.377
MAR-TRE-be9ff7d2-11
0.377
MAR-TRE-8190bb11-85
0.373
MAR-TRE-4f781e27-84
0.372
MAR-TRE-c317dd82-63
0.372
MAR-TRE-e82e6c98-95
0.369
MAR-TRE-799db12b-7
0.369
MAR-TRE-8190bb11-88
0.357
MAR-TRE-9d18ae8c-7
0.356
MAR-TRE-8190bb11-24
0.355
MAR-TRE-4f781e27-99
0.354
MAR-TRE-9d18ae8c-89
0.354
MAR-TRE-92684b97-96
0.353
MAR-TRE-8190bb11-50
0.350
MAR-TRE-4f781e27-96
0.349
MAR-TRE-8190bb11-13
0.346
MAR-TRE-be9ff7d2-90
0.346
MAR-TRE-92684b97-11
0.346
MAR-TRE-be9ff7d2-89
0.345
MAR-TRE-e82e6c98-91
0.345
MAR-TRE-9d18ae8c-10
0.344
MAR-TRE-e82e6c98-57
0.342
MAR-TRE-be9ff7d2-17
0.341
MAR-TRE-4f781e27-28
0.341
MAR-TRE-c317dd82-35
0.341
MAR-TRE-e82e6c98-23
0.338
MAR-TRE-799db12b-35
0.338
MAR-TRE-66ac689e-26
0.337
MAR-TRE-e82e6c98-50
0.337
MAR-TRE-92684b97-54
0.337
MAR-TRE-92684b97-37
0.337
MAR-TRE-be9ff7d2-18
0.333
MAR-TRE-799db12b-2
0.333
MAR-TRE-e82e6c98-68
0.333
MAR-TRE-66ac689e-37
0.333
MAR-TRE-66ac689e-73
0.333
MAR-TRE-9d18ae8c-46
0.333
MAR-TRE-92684b97-64
0.333
MAR-TRE-9d18ae8c-18
0.333
MAR-TRE-9d18ae8c-54
0.333
MAR-TRE-9d18ae8c-49
0.330
MAR-TRE-4f781e27-2
0.330
MAR-TRE-4f781e27-61
0.330
MAR-TRE-9d18ae8c-36
0.330
MAR-TRE-8190bb11-95
0.329
MAR-TRE-9d18ae8c-53
0.329
MAR-TRE-8190bb11-40
0.329
MAR-TRE-92684b97-81
0.329
MAR-TRE-9d18ae8c-84
0.329
MAR-TRE-c317dd82-55
0.329
MAR-TRE-92684b97-72
0.329
MAR-TRE-92684b97-88
0.329
MAR-TRE-4f781e27-85
0.329
MAR-TRE-799db12b-89
0.326
MAR-TRE-e82e6c98-93
0.326
MAR-TRE-799db12b-16
0.326
MAR-TRE-66ac689e-21
0.326
MAR-TRE-92684b97-53
0.326
MAR-TRE-92684b97-82
0.326
MAR-TRE-799db12b-27
0.326
MAR-TRE-9d18ae8c-6
0.326
MAR-TRE-c317dd82-76
0.325
MAR-TRE-a9136c7b-54
0.325
MAR-TRE-66ac689e-12
0.325
MAR-TRE-9d18ae8c-11
0.322
MAR-TRE-799db12b-51
0.322
MAR-TRE-8190bb11-31
0.322
MAR-TRE-c317dd82-81
0.322
MAR-TRE-66ac689e-29
0.322
MAR-TRE-9d18ae8c-81
0.322
MAR-TRE-8190bb11-81
0.321
MAR-TRE-8190bb11-82
0.321
MAR-TRE-e82e6c98-12
0.321
MAR-TRE-4f781e27-49
0.321
MAR-TRE-e82e6c98-25
0.319
MAR-TRE-a9136c7b-31
0.319
MAR-TRE-8190bb11-99
0.319
MAR-TRE-be9ff7d2-9
0.319
MAR-TRE-92684b97-6
0.319
MAR-TRE-9d18ae8c-26
0.319
MAR-TRE-9d18ae8c-34
0.319
MAR-TRE-92684b97-67
0.318
MAR-TRE-799db12b-3
0.318
MAR-TRE-799db12b-24
0.318
MAR-TRE-799db12b-33
0.318
MAR-TRE-c317dd82-86
0.318
MAR-TRE-e82e6c98-35
0.318
MAR-TRE-92684b97-44
0.318
MAR-TRE-be9ff7d2-1
0.317
MAR-TRE-92684b97-75
0.317
MAR-TRE-a9136c7b-80
0.315
MAR-TRE-799db12b-72
0.315
MAR-TRE-4f781e27-48
0.315
MAR-TRE-be9ff7d2-37
0.315