Molecular Properties | |
SMILES: | COc1ccc(Cn2nccc2NC(=O)c2cncnc2)c(OC)c1OC |
MW: | 369.14 |
Fraction sp3: | 0.22 |
HBA: | 8 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 100.39 |
cLogP: | 2.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-a9136c7b-10
0.730
MAR-TRE-a9136c7b-13
0.354
MAR-TRE-8190bb11-49
0.341
MAR-TRE-be9ff7d2-83
0.337
MAR-TRE-66ac689e-89
0.337
MAR-TRE-a9136c7b-70
0.333
MAR-TRE-4f781e27-67
0.330
MAR-TRE-be9ff7d2-36
0.321
MAR-TRE-92684b97-10
0.321
MAR-TRE-8190bb11-95
0.319
MAR-TRE-e82e6c98-14
0.315
MAR-TRE-4f781e27-12
0.314
MAR-TRE-92684b97-96
0.312
MAR-TRE-799db12b-32
0.311
MAR-TRE-66ac689e-88
0.310
MAR-TRE-4f781e27-69
0.309
MAR-TRE-e82e6c98-38
0.309
MAR-TRE-66ac689e-87
0.309
MAR-TRE-e82e6c98-58
0.308
MAR-TRE-be9ff7d2-86
0.308
MAR-TRE-be9ff7d2-3
0.307
MAR-TRE-c317dd82-16
0.305
MAR-TRE-8190bb11-68
0.305
MAR-TRE-799db12b-86
0.305
MAR-TRE-be9ff7d2-64
0.304
MAR-TRE-a9136c7b-49
0.304
MAR-TRE-8190bb11-78
0.303
MAR-TRE-799db12b-84
0.303
MAR-TRE-e82e6c98-54
0.302
MAR-TRE-92684b97-25
0.302
MAR-TRE-8190bb11-7
0.301
MAR-TRE-c317dd82-90
0.301
MAR-TRE-799db12b-12
0.300
MAR-TRE-a9136c7b-27
0.299
MAR-TRE-8190bb11-18
0.299
MAR-TRE-be9ff7d2-20
0.299
MAR-TRE-e82e6c98-80
0.299
MAR-TRE-66ac689e-57
0.299
MAR-TRE-66ac689e-31
0.298
MAR-TRE-66ac689e-40
0.298
MAR-TRE-be9ff7d2-47
0.298
MAR-TRE-c317dd82-38
0.297
MAR-TRE-a9136c7b-98
0.297
MAR-TRE-799db12b-79
0.297
MAR-TRE-66ac689e-51
0.297
MAR-TRE-9d18ae8c-58
0.297
MAR-TRE-be9ff7d2-62
0.296
MAR-TRE-be9ff7d2-73
0.296
MAR-TRE-8190bb11-4
0.295
MAR-TRE-799db12b-28
0.295
MAR-TRE-66ac689e-24
0.295
MAR-TRE-c317dd82-27
0.294
MAR-TRE-e82e6c98-41
0.294
MAR-TRE-799db12b-5
0.293
MAR-TRE-9d18ae8c-99
0.293
MAR-TRE-a9136c7b-30
0.293
MAR-TRE-92684b97-8
0.293
MAR-TRE-c317dd82-56
0.293
MAR-TRE-a9136c7b-9
0.293
MAR-TRE-e82e6c98-9
0.292
MAR-TRE-4f781e27-47
0.292
MAR-TRE-4f781e27-48
0.292
MAR-TRE-4f781e27-60
0.292
MAR-TRE-799db12b-78
0.292
MAR-TRE-799db12b-43
0.292
MAR-TRE-e82e6c98-30
0.291
MAR-TRE-92684b97-55
0.290
MAR-TRE-9d18ae8c-53
0.290
MAR-TRE-be9ff7d2-97
0.290
MAR-TRE-799db12b-74
0.289
MAR-TRE-8190bb11-100
0.289
MAR-TRE-e82e6c98-7
0.287
MAR-TRE-799db12b-31
0.287
MAR-TRE-4f781e27-26
0.287
MAR-TRE-66ac689e-30
0.286
MAR-TRE-4f781e27-27
0.286
MAR-TRE-c317dd82-91
0.286
MAR-TRE-e82e6c98-1
0.286
MAR-TRE-8190bb11-38
0.284
MAR-TRE-9d18ae8c-90
0.284
MAR-TRE-a9136c7b-42
0.284
MAR-TRE-66ac689e-76
0.284
MAR-TRE-e82e6c98-74
0.284
MAR-TRE-799db12b-97
0.283
MAR-TRE-4f781e27-9
0.283
MAR-TRE-c317dd82-58
0.283
MAR-TRE-799db12b-26
0.283
MAR-TRE-be9ff7d2-15
0.283
MAR-TRE-799db12b-63
0.283
MAR-TRE-8190bb11-81
0.283
MAR-TRE-8190bb11-82
0.283
MAR-TRE-9d18ae8c-69
0.283
MAR-TRE-be9ff7d2-22
0.283
MAR-TRE-be9ff7d2-40
0.283
MAR-TRE-92684b97-84
0.281
MAR-TRE-8190bb11-67
0.281
MAR-TRE-92684b97-5
0.281
MAR-TRE-799db12b-2
0.281
MAR-TRE-799db12b-33
0.281
MAR-TRE-8190bb11-96
0.281