Molecular Properties | |
SMILES: | COc1cc(CCNC(=O)c2cncnc2)ccc1F |
MW: | 275.11 |
Fraction sp3: | 0.21 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 64.11 |
cLogP: | 1.6 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-4f781e27-16
0.507
MAR-TRE-4f781e27-58
0.480
MAR-TRE-4f781e27-85
0.465
MAR-TRE-be9ff7d2-40
0.447
MAR-TRE-8190bb11-18
0.439
MAR-TRE-be9ff7d2-73
0.434
MAR-TRE-e82e6c98-76
0.432
MAR-TRE-4f781e27-82
0.422
MAR-TRE-8190bb11-76
0.410
MAR-TRE-be9ff7d2-39
0.410
MAR-TRE-e82e6c98-51
0.405
MAR-TRE-be9ff7d2-5
0.402
MAR-TRE-8190bb11-68
0.398
MAR-TRE-4f781e27-18
0.398
MAR-TRE-be9ff7d2-37
0.398
MAR-TRE-8190bb11-49
0.392
MAR-TRE-4f781e27-81
0.390
MAR-TRE-66ac689e-87
0.386
MAR-TRE-92684b97-67
0.386
MAR-TRE-e82e6c98-75
0.385
MAR-TRE-799db12b-84
0.385
MAR-TRE-8190bb11-42
0.382
MAR-TRE-e82e6c98-14
0.378
MAR-TRE-92684b97-82
0.378
MAR-TRE-c317dd82-63
0.377
MAR-TRE-799db12b-79
0.375
MAR-TRE-92684b97-75
0.372
MAR-TRE-92684b97-78
0.370
MAR-TRE-be9ff7d2-49
0.364
MAR-TRE-e82e6c98-26
0.364
MAR-TRE-8190bb11-69
0.362
MAR-TRE-c317dd82-35
0.362
MAR-TRE-92684b97-91
0.361
MAR-TRE-8190bb11-24
0.360
MAR-TRE-8190bb11-85
0.360
MAR-TRE-4f781e27-84
0.359
MAR-TRE-799db12b-35
0.359
MAR-TRE-8190bb11-96
0.359
MAR-TRE-4f781e27-99
0.359
MAR-TRE-e82e6c98-50
0.358
MAR-TRE-66ac689e-98
0.358
MAR-TRE-4f781e27-88
0.357
MAR-TRE-92684b97-96
0.357
MAR-TRE-66ac689e-59
0.354
MAR-TRE-e82e6c98-58
0.354
MAR-TRE-be9ff7d2-86
0.354
MAR-TRE-8190bb11-13
0.351
MAR-TRE-8190bb11-78
0.350
MAR-TRE-92684b97-11
0.350
MAR-TRE-92684b97-72
0.350
MAR-TRE-92684b97-88
0.350
MAR-TRE-be9ff7d2-28
0.349
MAR-TRE-66ac689e-35
0.349
MAR-TRE-92684b97-14
0.349
MAR-TRE-a9136c7b-78
0.349
MAR-TRE-66ac689e-11
0.349
MAR-TRE-c317dd82-92
0.346
MAR-TRE-66ac689e-12
0.346
MAR-TRE-4f781e27-23
0.345
MAR-TRE-be9ff7d2-67
0.342
MAR-TRE-be9ff7d2-41
0.342
MAR-TRE-92684b97-41
0.342
MAR-TRE-9d18ae8c-89
0.342
MAR-TRE-e82e6c98-29
0.341
MAR-TRE-799db12b-32
0.341
MAR-TRE-92684b97-54
0.341
MAR-TRE-a9136c7b-46
0.341
MAR-TRE-799db12b-7
0.341
MAR-TRE-799db12b-87
0.341
MAR-TRE-9d18ae8c-90
0.341
MAR-TRE-92684b97-32
0.341
MAR-TRE-8190bb11-50
0.338
MAR-TRE-be9ff7d2-3
0.338
MAR-TRE-a9136c7b-92
0.338
MAR-TRE-92684b97-77
0.338
MAR-TRE-66ac689e-63
0.337
MAR-TRE-799db12b-5
0.337
MAR-TRE-799db12b-33
0.337
MAR-TRE-799db12b-75
0.337
MAR-TRE-be9ff7d2-90
0.333
MAR-TRE-92684b97-46
0.333
MAR-TRE-be9ff7d2-64
0.333
MAR-TRE-a9136c7b-5
0.333
MAR-TRE-c317dd82-26
0.333
MAR-TRE-e82e6c98-47
0.333
MAR-TRE-e82e6c98-54
0.333
MAR-TRE-e82e6c98-77
0.333
MAR-TRE-a9136c7b-49
0.333
MAR-TRE-799db12b-44
0.333
MAR-TRE-799db12b-77
0.333
MAR-TRE-8190bb11-36
0.333
MAR-TRE-8190bb11-80
0.333
MAR-TRE-e82e6c98-22
0.333
MAR-TRE-e82e6c98-91
0.333
MAR-TRE-66ac689e-13
0.333
MAR-TRE-9d18ae8c-13
0.333
MAR-TRE-4f781e27-83
0.333
MAR-TRE-be9ff7d2-7
0.330
MAR-TRE-66ac689e-1
0.330
MAR-TRE-92684b97-92
0.330