Molecular Properties | |
SMILES: | COc1cccc(C2(NC(=O)c3cncnc3)CCOCC2)c1F |
MW: | 331.13 |
Fraction sp3: | 0.35 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 73.34 |
cLogP: | 2.06 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-799db12b-54
0.513
MAR-TRE-8190bb11-20
0.475
MAR-TRE-e82e6c98-66
0.468
MAR-TRE-be9ff7d2-66
0.450
MAR-TRE-4f781e27-33
0.449
MAR-TRE-92684b97-19
0.444
MAR-TRE-be9ff7d2-2
0.442
MAR-TRE-c317dd82-62
0.434
MAR-TRE-be9ff7d2-79
0.434
MAR-TRE-e82e6c98-83
0.430
MAR-TRE-a9136c7b-97
0.429
MAR-TRE-66ac689e-5
0.417
MAR-TRE-be9ff7d2-76
0.407
MAR-TRE-e82e6c98-55
0.383
MAR-TRE-66ac689e-55
0.372
MAR-TRE-4f781e27-35
0.368
MAR-TRE-9d18ae8c-72
0.362
MAR-TRE-4f781e27-21
0.358
MAR-TRE-92684b97-95
0.357
MAR-TRE-9d18ae8c-42
0.357
MAR-TRE-e82e6c98-1
0.353
MAR-TRE-9d18ae8c-96
0.351
MAR-TRE-92684b97-73
0.348
MAR-TRE-799db12b-85
0.348
MAR-TRE-92684b97-4
0.348
MAR-TRE-92684b97-77
0.345
MAR-TRE-92684b97-31
0.341
MAR-TRE-92684b97-14
0.341
MAR-TRE-a9136c7b-10
0.340
MAR-TRE-c317dd82-37
0.333
MAR-TRE-e82e6c98-41
0.333
MAR-TRE-66ac689e-90
0.333
MAR-TRE-be9ff7d2-86
0.330
MAR-TRE-c317dd82-86
0.330
MAR-TRE-9d18ae8c-99
0.330
MAR-TRE-9d18ae8c-32
0.326
MAR-TRE-c317dd82-25
0.326
MAR-TRE-799db12b-34
0.326
MAR-TRE-9d18ae8c-13
0.326
MAR-TRE-9d18ae8c-27
0.326
MAR-TRE-4f781e27-56
0.322
MAR-TRE-66ac689e-93
0.322
MAR-TRE-c317dd82-47
0.320
MAR-TRE-c317dd82-12
0.319
MAR-TRE-be9ff7d2-91
0.319
MAR-TRE-92684b97-32
0.319
MAR-TRE-be9ff7d2-54
0.319
MAR-TRE-799db12b-79
0.318
MAR-TRE-799db12b-32
0.318
MAR-TRE-66ac689e-98
0.318
MAR-TRE-8190bb11-70
0.315
MAR-TRE-92684b97-84
0.315
MAR-TRE-66ac689e-83
0.315
MAR-TRE-e82e6c98-71
0.314
MAR-TRE-9d18ae8c-76
0.313
MAR-TRE-4f781e27-53
0.312
MAR-TRE-799db12b-19
0.312
MAR-TRE-799db12b-92
0.312
MAR-TRE-4f781e27-20
0.312
MAR-TRE-8190bb11-39
0.312
MAR-TRE-4f781e27-18
0.312
MAR-TRE-e82e6c98-91
0.311
MAR-TRE-66ac689e-97
0.311
MAR-TRE-8190bb11-95
0.311
MAR-TRE-66ac689e-95
0.310
MAR-TRE-8190bb11-78
0.310
MAR-TRE-92684b97-76
0.310
MAR-TRE-9d18ae8c-33
0.310
MAR-TRE-c317dd82-96
0.310
MAR-TRE-9d18ae8c-39
0.309
MAR-TRE-8190bb11-100
0.309
MAR-TRE-92684b97-29
0.308
MAR-TRE-9d18ae8c-68
0.308
MAR-TRE-799db12b-66
0.307
MAR-TRE-c317dd82-53
0.306
MAR-TRE-66ac689e-86
0.306
MAR-TRE-9d18ae8c-86
0.305
MAR-TRE-9d18ae8c-61
0.305
MAR-TRE-66ac689e-7
0.304
MAR-TRE-799db12b-87
0.304
MAR-TRE-e82e6c98-76
0.302
MAR-TRE-4f781e27-9
0.302
MAR-TRE-799db12b-75
0.301
MAR-TRE-c317dd82-40
0.300
MAR-TRE-e82e6c98-34
0.300
MAR-TRE-e82e6c98-56
0.300
MAR-TRE-8190bb11-58
0.300
MAR-TRE-a9136c7b-5
0.299
MAR-TRE-a9136c7b-32
0.299
MAR-TRE-66ac689e-69
0.299
MAR-TRE-92684b97-12
0.299
MAR-TRE-be9ff7d2-3
0.299
MAR-TRE-a9136c7b-65
0.298
MAR-TRE-a9136c7b-78
0.298
MAR-TRE-799db12b-90
0.298
MAR-TRE-9d18ae8c-95
0.298
MAR-TRE-66ac689e-58
0.298
MAR-TRE-be9ff7d2-64
0.297
MAR-TRE-a9136c7b-70
0.297
MAR-TRE-4f781e27-37
0.297