Molecular Properties | |
SMILES: | O=C(NCc1noc2ccc(F)cc12)c1cncnc1 |
MW: | 272.07 |
Fraction sp3: | 0.08 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 80.91 |
cLogP: | 1.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-e82e6c98-91
0.541
WIL-UNI-1faa9b10-47
0.500
MAR-TRE-9d18ae8c-84
0.425
MAR-TRE-9d18ae8c-55
0.422
MAR-TRE-92684b97-64
0.393
MAR-TRE-66ac689e-74
0.393
MAR-TRE-8190bb11-42
0.390
MAR-TRE-be9ff7d2-67
0.389
MAR-TRE-8190bb11-88
0.386
MAR-TRE-799db12b-7
0.381
MAR-TRE-be9ff7d2-90
0.377
MAR-TRE-e82e6c98-18
0.369
MAR-TRE-e82e6c98-93
0.369
MAR-TRE-92684b97-53
0.369
MAR-TRE-8190bb11-24
0.368
MAR-TRE-9d18ae8c-7
0.368
MAR-TRE-8190bb11-83
0.368
MAR-TRE-4f781e27-99
0.367
MAR-TRE-be9ff7d2-1
0.362
JUL-TUD-06b2044f-26
0.362
MAR-TRE-4f781e27-100
0.361
MAR-TRE-92684b97-78
0.360
MAR-TRE-e82e6c98-54
0.359
MAR-TRE-4f781e27-85
0.359
MAR-TRE-92684b97-11
0.358
MAR-TRE-92684b97-46
0.356
MAR-TRE-66ac689e-69
0.356
MAR-TRE-9d18ae8c-10
0.356
MAR-TRE-be9ff7d2-17
0.354
MAR-TRE-66ac689e-12
0.354
MAR-TRE-799db12b-27
0.353
MAR-TRE-4f781e27-49
0.351
MAR-TRE-8190bb11-85
0.351
MAR-TRE-e82e6c98-23
0.350
MAR-TRE-c317dd82-63
0.350
MAR-TRE-799db12b-35
0.350
MAR-TRE-9d18ae8c-74
0.349
MAR-TRE-4f781e27-88
0.349
MAR-TRE-8190bb11-50
0.346
MAR-TRE-92684b97-75
0.346
MAR-TRE-799db12b-98
0.344
MAR-TRE-8190bb11-13
0.342
MAR-TRE-799db12b-84
0.341
MAR-TRE-a9136c7b-24
0.341
MAR-TRE-9d18ae8c-53
0.341
MAR-TRE-66ac689e-94
0.341
MAR-TRE-8190bb11-40
0.341
MAR-TRE-4f781e27-83
0.341
MAR-TRE-be9ff7d2-37
0.341
MAR-TRE-66ac689e-33
0.341
MAR-TRE-e82e6c98-57
0.338
MAR-TRE-be9ff7d2-11
0.338
MAR-TRE-c317dd82-76
0.337
MAR-TRE-a9136c7b-54
0.337
MAR-TRE-8190bb11-22
0.337
MAR-TRE-4f781e27-28
0.337
MAR-TRE-c317dd82-35
0.337
MAR-TRE-e82e6c98-14
0.337
MAR-TRE-8190bb11-86
0.337
MAR-TRE-92684b97-91
0.337
MAR-TRE-8190bb11-73
0.337
MAR-TRE-a9136c7b-37
0.337
MAR-TRE-be9ff7d2-34
0.333
MAR-TRE-66ac689e-26
0.333
MAR-TRE-9d18ae8c-81
0.333
MAR-TRE-c317dd82-81
0.333
MAR-TRE-799db12b-18
0.333
MAR-TRE-92684b97-41
0.333
MAR-TRE-9d18ae8c-89
0.333
MAR-TRE-799db12b-59
0.330
MAR-TRE-9d18ae8c-54
0.330
MAR-TRE-799db12b-2
0.330
MAR-TRE-799db12b-3
0.330
MAR-TRE-66ac689e-73
0.329
MAR-TRE-66ac689e-37
0.329
MAR-TRE-e82e6c98-68
0.329
MAR-TRE-be9ff7d2-89
0.326
MAR-TRE-799db12b-44
0.326
MAR-TRE-799db12b-54
0.326
MAR-TRE-92684b97-81
0.326
MAR-TRE-be9ff7d2-28
0.326
MAR-TRE-4f781e27-92
0.326
MAR-TRE-8190bb11-36
0.325
MAR-TRE-8190bb11-76
0.322
MAR-TRE-799db12b-16
0.322
MAR-TRE-66ac689e-21
0.322
MAR-TRE-92684b97-82
0.322
MAR-TRE-9d18ae8c-6
0.322
MAR-TRE-a9136c7b-33
0.321
MAR-TRE-9d18ae8c-48
0.321
MAR-TRE-92684b97-74
0.321
MAR-TRE-66ac689e-86
0.321
AAR-POS-8a4e0f60-3
0.320
MAR-TRE-799db12b-12
0.319
MAR-TRE-be9ff7d2-81
0.318
MAR-TRE-92684b97-96
0.318
MAR-TRE-66ac689e-29
0.318
MAR-TRE-a9136c7b-28
0.318
MAR-TRE-92684b97-54
0.318
MAR-TRE-66ac689e-68
0.318