Molecular Properties | |
SMILES: | O=C(Nc1cccc(F)c1-c1nc[nH]n1)c1cncnc1 |
MW: | 284.08 |
Fraction sp3: | 0.0 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 96.45 |
cLogP: | 1.65 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-799db12b-20
0.375
MAR-TRE-799db12b-74
0.367
MAR-TRE-799db12b-63
0.358
MAR-TRE-66ac689e-24
0.353
MAR-TRE-8190bb11-51
0.350
MAR-TRE-92684b97-55
0.349
MAR-TRE-a9136c7b-12
0.349
MAR-TRE-8190bb11-15
0.346
MAR-TRE-66ac689e-30
0.346
MAR-TRE-9d18ae8c-69
0.341
MAR-TRE-9d18ae8c-14
0.337
MAR-TRE-9d18ae8c-83
0.337
MAR-TRE-799db12b-60
0.337
MAR-TRE-4f781e27-85
0.333
MAR-TRE-9d18ae8c-35
0.333
MAR-TRE-66ac689e-31
0.326
MAR-TRE-66ac689e-40
0.326
MAR-TRE-be9ff7d2-6
0.325
MAR-TRE-4f781e27-34
0.322
MAR-TRE-8190bb11-4
0.322
MAR-TRE-66ac689e-84
0.321
MAR-TRE-4f781e27-33
0.321
MAR-TRE-4f781e27-70
0.321
MAR-TRE-9d18ae8c-12
0.319
MAR-TRE-799db12b-34
0.318
MAR-TRE-4f781e27-47
0.318
MAR-TRE-a9136c7b-65
0.318
MAR-TRE-9d18ae8c-22
0.318
MAR-TRE-66ac689e-8
0.318
MAR-TRE-8190bb11-36
0.317
MAR-TRE-799db12b-40
0.315
MAR-TRE-8190bb11-100
0.315
MAR-TRE-9d18ae8c-7
0.315
MAR-TRE-92684b97-91
0.314
MAR-TRE-c317dd82-90
0.314
MAR-TRE-92684b97-86
0.313
MAR-TRE-4f781e27-14
0.313
MAR-TRE-c317dd82-35
0.313
MAR-TRE-9d18ae8c-48
0.313
MAR-TRE-4f781e27-12
0.312
MAR-TRE-e82e6c98-74
0.312
MAR-TRE-a9136c7b-28
0.310
MAR-TRE-66ac689e-68
0.310
MAR-TRE-4f781e27-45
0.310
MAR-TRE-92684b97-85
0.310
MAR-TRE-92684b97-15
0.310
MAR-TRE-c317dd82-63
0.309
MAR-TRE-a9136c7b-20
0.309
MAR-TRE-8190bb11-65
0.309
MAR-TRE-66ac689e-88
0.309
MAR-TRE-c317dd82-23
0.309
MAR-TRE-e82e6c98-70
0.308
MAR-TRE-66ac689e-77
0.307
MAR-TRE-799db12b-2
0.307
MAR-TRE-92684b97-18
0.307
MAR-TRE-be9ff7d2-93
0.306
MAR-TRE-66ac689e-50
0.306
MAR-TRE-c317dd82-86
0.306
MAR-TRE-a9136c7b-22
0.305
MAR-TRE-be9ff7d2-83
0.305
MAR-TRE-e82e6c98-20
0.305
MAR-TRE-e82e6c98-83
0.305
MAR-TRE-4f781e27-19
0.305
MAR-TRE-92684b97-77
0.305
MAR-TRE-a9136c7b-10
0.304
MAR-TRE-9d18ae8c-10
0.304
MAR-TRE-66ac689e-58
0.304
MAR-TRE-66ac689e-62
0.304
MAR-TRE-92684b97-63
0.304
MAR-TRE-66ac689e-36
0.303
MAR-TRE-4f781e27-61
0.303
MAR-TRE-8190bb11-95
0.302
MAR-TRE-9d18ae8c-41
0.302
MAR-TRE-8190bb11-37
0.301
MAR-TRE-4f781e27-40
0.301
MAR-TRE-66ac689e-95
0.301
MAR-TRE-9d18ae8c-67
0.301
MAR-TRE-4f781e27-67
0.300
MAR-TRE-92684b97-66
0.300
MAR-TRE-92684b97-25
0.300
MAR-TRE-799db12b-31
0.299
MAR-TRE-4f781e27-56
0.299
MAR-TRE-4f781e27-31
0.298
MAR-TRE-66ac689e-42
0.298
MAR-TRE-9d18ae8c-97
0.298
MAR-TRE-8190bb11-18
0.297
MAR-TRE-9d18ae8c-11
0.297
MAR-TRE-66ac689e-52
0.297
HUB-UNK-9845d277-14
0.297
MAR-TRE-92684b97-1
0.297
MAR-TRE-9d18ae8c-43
0.297
MAR-TRE-8190bb11-48
0.296
MAR-TRE-92684b97-17
0.296
MAR-TRE-92684b97-22
0.296
MAR-TRE-9d18ae8c-62
0.296
MAR-TRE-8190bb11-26
0.295
MAR-TRE-66ac689e-76
0.295
MAR-TRE-799db12b-79
0.294
MAR-TRE-4f781e27-15
0.294
MAR-TRE-9d18ae8c-85
0.293