Molecular Properties | |
SMILES: | CSc1ccc(C2(NC(=O)c3cncnc3)CCOC2)cc1 |
MW: | 315.1 |
Fraction sp3: | 0.31 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 64.11 |
cLogP: | 2.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-66ac689e-5
0.697
MAR-TRE-4f781e27-33
0.683
MAR-TRE-e82e6c98-83
0.514
MAR-TRE-be9ff7d2-76
0.507
MAR-TRE-799db12b-54
0.480
MAR-TRE-a9136c7b-27
0.444
MAR-TRE-8190bb11-20
0.442
MAR-TRE-be9ff7d2-79
0.436
MAR-TRE-be9ff7d2-66
0.434
MAR-TRE-e82e6c98-66
0.434
MAR-TRE-e82e6c98-55
0.419
MAR-TRE-c317dd82-62
0.418
MAR-TRE-4f781e27-21
0.411
MAR-TRE-92684b97-95
0.408
MAR-TRE-a9136c7b-97
0.395
MAR-TRE-be9ff7d2-2
0.393
MAR-TRE-e82e6c98-1
0.385
MAR-TRE-c317dd82-40
0.375
MAR-TRE-9d18ae8c-96
0.366
MAR-TRE-66ac689e-55
0.354
MAR-TRE-92684b97-31
0.354
MAR-TRE-c317dd82-4
0.349
MAR-TRE-9d18ae8c-42
0.338
MAR-TRE-c317dd82-53
0.333
MAR-TRE-92684b97-4
0.330
MAR-TRE-c317dd82-37
0.329
MAR-TRE-e82e6c98-41
0.329
MAR-TRE-9d18ae8c-76
0.325
MAR-TRE-9d18ae8c-72
0.325
MAR-TRE-9d18ae8c-95
0.325
MAR-TRE-4f781e27-53
0.322
MAR-TRE-c317dd82-25
0.322
MAR-TRE-8190bb11-39
0.322
MAR-TRE-9d18ae8c-27
0.321
MAR-TRE-92684b97-52
0.321
MAR-TRE-c317dd82-68
0.320
MAR-TRE-9d18ae8c-39
0.320
MAR-TRE-9d18ae8c-61
0.316
MAR-TRE-c317dd82-12
0.315
MAR-TRE-e82e6c98-99
0.314
MAR-TRE-66ac689e-90
0.314
MAR-TRE-be9ff7d2-54
0.314
MAR-TRE-92684b97-73
0.314
MAR-TRE-66ac689e-2
0.310
MAR-TRE-c317dd82-34
0.310
MAR-TRE-c317dd82-86
0.310
MAR-TRE-8190bb11-92
0.310
MAR-TRE-c317dd82-73
0.309
MAR-TRE-66ac689e-38
0.309
MAR-TRE-8190bb11-2
0.309
MAR-TRE-9d18ae8c-32
0.307
MAR-TRE-e82e6c98-91
0.306
MAR-TRE-92684b97-76
0.305
MAR-TRE-9d18ae8c-33
0.305
MAR-TRE-c317dd82-96
0.304
MAR-TRE-4f781e27-67
0.303
MAR-TRE-8190bb11-100
0.303
MAR-TRE-9d18ae8c-68
0.302
MAR-TRE-4f781e27-35
0.302
MAR-TRE-c317dd82-47
0.301
MAR-TRE-be9ff7d2-91
0.300
MAR-TRE-9d18ae8c-71
0.300
MAR-TRE-92684b97-57
0.299
MAR-TRE-be9ff7d2-47
0.299
MAR-TRE-92684b97-41
0.296
MAR-TRE-4f781e27-99
0.296
MAR-TRE-9d18ae8c-31
0.296
MAR-TRE-92684b97-5
0.295
MAR-TRE-66ac689e-83
0.294
MAR-TRE-e82e6c98-34
0.294
MAR-TRE-c317dd82-77
0.294
MAR-TRE-c317dd82-93
0.294
MAR-TRE-e82e6c98-44
0.294
MAR-TRE-a9136c7b-7
0.293
MAR-TRE-e82e6c98-71
0.293
MAR-TRE-a9136c7b-65
0.292
MAR-TRE-799db12b-34
0.292
MAR-TRE-92684b97-63
0.291
MAR-TRE-66ac689e-62
0.291
MAR-TRE-a9136c7b-34
0.291
MAR-TRE-92684b97-14
0.291
MAR-TRE-e82e6c98-81
0.289
MAR-TRE-c317dd82-18
0.289
MAR-TRE-be9ff7d2-16
0.289
MAR-TRE-66ac689e-95
0.289
MAR-TRE-be9ff7d2-72
0.289
MAR-TRE-4f781e27-85
0.287
MAR-TRE-c317dd82-90
0.287
MAR-TRE-a9136c7b-63
0.287
MAR-TRE-4f781e27-22
0.286
MAR-TRE-c317dd82-76
0.286
MAR-TRE-c317dd82-100
0.286
MAR-TRE-799db12b-55
0.286
MAR-TRE-c317dd82-23
0.284
MAR-TRE-799db12b-7
0.284
MAR-TRE-be9ff7d2-29
0.284
MAR-TRE-66ac689e-7
0.284
MAR-TRE-4f781e27-88
0.284
MAR-TRE-66ac689e-86
0.284
MAR-TRE-a9136c7b-2
0.283