Molecular Properties | |
SMILES: | O=C(NCc1coc2ccc(F)cc12)c1cncnc1 |
MW: | 271.08 |
Fraction sp3: | 0.07 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 68.02 |
cLogP: | 2.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-e82e6c98-95
0.541
MAR-TRE-8190bb11-42
0.458
MAR-TRE-66ac689e-74
0.456
MAR-TRE-799db12b-7
0.443
MAR-TRE-be9ff7d2-90
0.425
MAR-TRE-92684b97-64
0.420
MAR-TRE-4f781e27-99
0.413
MAR-TRE-92684b97-78
0.408
MAR-TRE-be9ff7d2-1
0.408
MAR-TRE-8190bb11-13
0.405
MAR-TRE-4f781e27-75
0.402
MAR-TRE-e82e6c98-57
0.400
MAR-TRE-4f781e27-83
0.398
MAR-TRE-92684b97-46
0.398
MAR-TRE-8190bb11-24
0.397
MAR-TRE-8190bb11-85
0.397
MAR-TRE-92684b97-53
0.395
MAR-TRE-799db12b-35
0.395
MAR-TRE-92684b97-54
0.392
MAR-TRE-e82e6c98-12
0.392
MAR-TRE-8190bb11-81
0.392
MAR-TRE-8190bb11-82
0.392
MAR-TRE-4f781e27-88
0.390
MAR-TRE-4f781e27-85
0.387
MAR-TRE-799db12b-59
0.386
MAR-TRE-92684b97-5
0.386
MAR-TRE-c317dd82-55
0.385
MAR-TRE-be9ff7d2-67
0.380
MAR-TRE-8190bb11-22
0.380
MAR-TRE-4f781e27-49
0.378
MAR-TRE-799db12b-89
0.378
MAR-TRE-8190bb11-86
0.378
MAR-TRE-e82e6c98-23
0.377
MAR-TRE-9d18ae8c-7
0.376
MAR-TRE-4f781e27-54
0.375
MAR-TRE-c317dd82-81
0.373
MAR-TRE-66ac689e-29
0.373
MAR-TRE-e82e6c98-5
0.373
MAR-TRE-e82e6c98-35
0.370
MAR-TRE-be9ff7d2-18
0.370
MAR-TRE-4f781e27-100
0.370
MAR-TRE-a9136c7b-100
0.369
MAR-TRE-e82e6c98-54
0.368
MAR-TRE-799db12b-64
0.368
MAR-TRE-799db12b-65
0.368
MAR-TRE-799db12b-84
0.367
MAR-TRE-92684b97-11
0.367
MAR-TRE-8190bb11-27
0.367
MAR-TRE-4f781e27-92
0.366
MAR-TRE-9d18ae8c-53
0.366
MAR-TRE-e82e6c98-60
0.366
MAR-TRE-799db12b-44
0.366
MAR-TRE-8190bb11-40
0.366
MAR-TRE-66ac689e-47
0.365
MAR-TRE-a9136c7b-80
0.365
MAR-TRE-9d18ae8c-55
0.365
MAR-TRE-9d18ae8c-10
0.364
MAR-TRE-c317dd82-76
0.362
MAR-TRE-be9ff7d2-17
0.362
MAR-TRE-a9136c7b-54
0.362
MAR-TRE-66ac689e-12
0.362
MAR-TRE-66ac689e-21
0.361
MAR-TRE-799db12b-16
0.361
MAR-TRE-799db12b-27
0.361
MAR-TRE-8190bb11-88
0.361
MAR-TRE-92684b97-82
0.361
MAR-TRE-92684b97-91
0.361
MAR-TRE-8190bb11-83
0.360
MAR-TRE-9d18ae8c-89
0.359
MAR-TRE-c317dd82-63
0.359
MAR-TRE-66ac689e-26
0.358
MAR-TRE-be9ff7d2-81
0.357
MAR-TRE-799db12b-52
0.357
MAR-TRE-4f781e27-27
0.356
MAR-TRE-c317dd82-67
0.356
MAR-TRE-e82e6c98-68
0.355
MAR-TRE-8190bb11-50
0.354
MAR-TRE-92684b97-75
0.354
MAR-TRE-66ac689e-73
0.354
MAR-TRE-66ac689e-37
0.354
MAR-TRE-799db12b-3
0.353
MAR-TRE-a9136c7b-31
0.352
MAR-TRE-8190bb11-36
0.350
MAR-TRE-8190bb11-98
0.350
MAR-TRE-92684b97-81
0.349
MAR-TRE-9d18ae8c-84
0.349
MAR-TRE-be9ff7d2-28
0.349
MAR-TRE-a9136c7b-24
0.349
MAR-TRE-66ac689e-20
0.349
MAR-TRE-66ac689e-33
0.349
MAR-TRE-be9ff7d2-37
0.349
MAR-TRE-66ac689e-69
0.348
MAR-TRE-be9ff7d2-11
0.346
MAR-TRE-92684b97-74
0.346
MAR-TRE-c317dd82-35
0.346
MAR-TRE-4f781e27-28
0.346
MAR-TRE-9d18ae8c-48
0.346
MAR-TRE-e82e6c98-18
0.345
MAR-TRE-e82e6c98-93
0.345
MAR-TRE-9d18ae8c-6
0.345