Molecular Properties | |
SMILES: | COc1cccc(Cn2nccc2NC(=O)c2cncnc2)c1OC |
MW: | 339.13 |
Fraction sp3: | 0.18 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 91.16 |
cLogP: | 1.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-a9136c7b-32
0.730
MAR-TRE-a9136c7b-13
0.354
MAR-TRE-be9ff7d2-83
0.353
MAR-TRE-66ac689e-89
0.352
MAR-TRE-92684b97-10
0.346
MAR-TRE-a9136c7b-27
0.340
MAR-TRE-4f781e27-69
0.337
MAR-TRE-799db12b-86
0.333
MAR-TRE-92684b97-25
0.330
MAR-TRE-799db12b-12
0.327
MAR-TRE-66ac689e-40
0.326
MAR-TRE-8190bb11-49
0.326
MAR-TRE-66ac689e-24
0.323
MAR-TRE-9d18ae8c-99
0.322
MAR-TRE-be9ff7d2-36
0.321
MAR-TRE-d3c2bf0e-68
0.321
MAR-TRE-92684b97-8
0.320
MAR-TRE-4f781e27-6
0.320
MAR-TRE-be9ff7d2-64
0.319
MAR-TRE-8190bb11-95
0.319
MAR-TRE-799db12b-74
0.318
MAR-TRE-799db12b-16
0.315
MAR-TRE-66ac689e-30
0.315
MAR-TRE-e82e6c98-80
0.314
MAR-TRE-4f781e27-12
0.314
MAR-TRE-4f781e27-27
0.312
MAR-TRE-66ac689e-31
0.312
MAR-TRE-a9136c7b-42
0.312
MAR-TRE-66ac689e-76
0.312
MAR-TRE-92684b97-96
0.312
MAR-TRE-9d18ae8c-69
0.311
MAR-TRE-8190bb11-81
0.311
MAR-TRE-8190bb11-82
0.311
MAR-TRE-66ac689e-88
0.310
MAR-TRE-c317dd82-38
0.310
MAR-TRE-8190bb11-4
0.309
MAR-TRE-92684b97-84
0.309
MAR-TRE-66ac689e-87
0.309
MAR-TRE-e82e6c98-38
0.309
MAR-TRE-92684b97-5
0.309
MAR-TRE-be9ff7d2-86
0.308
MAR-TRE-4f781e27-29
0.307
MAR-TRE-be9ff7d2-3
0.307
MAR-TRE-a9136c7b-57
0.305
MAR-TRE-799db12b-34
0.305
MAR-TRE-799db12b-93
0.305
MAR-TRE-799db12b-43
0.305
MAR-TRE-4f781e27-20
0.305
MAR-TRE-4f781e27-47
0.305
MAR-TRE-4f781e27-48
0.305
MAR-TRE-4f781e27-83
0.305
MAR-TRE-a9136c7b-34
0.304
MAR-TRE-a9136c7b-70
0.304
MAR-TRE-9d18ae8c-35
0.304
MAR-TRE-d0525fbf-28
0.304
MAR-TRE-8190bb11-51
0.303
MAR-TRE-4f781e27-67
0.302
MAR-TRE-799db12b-40
0.302
MAR-TRE-e82e6c98-14
0.301
MAR-TRE-8190bb11-7
0.301
MAR-TRE-c317dd82-90
0.301
MAR-TRE-4f781e27-26
0.300
MAR-TRE-799db12b-85
0.299
MAR-TRE-92684b97-32
0.299
MAR-TRE-799db12b-37
0.299
MAR-TRE-66ac689e-57
0.299
MAR-TRE-66ac689e-67
0.298
MAR-TRE-be9ff7d2-47
0.298
MAR-TRE-92684b97-54
0.297
MAR-TRE-a9136c7b-98
0.297
MAR-TRE-799db12b-32
0.297
MAR-TRE-799db12b-63
0.297
MAR-TRE-66ac689e-51
0.297
MAR-TRE-66ac689e-98
0.297
MAR-TRE-9d18ae8c-58
0.297
UNK-UNK-2ede4078-39
0.296
MAR-TRE-4f781e27-9
0.296
MAR-TRE-92684b97-97
0.296
MAR-TRE-8190bb11-96
0.295
MAR-TRE-799db12b-28
0.295
MAR-TRE-799db12b-2
0.295
MAR-TRE-799db12b-33
0.295
MAR-TRE-66ac689e-25
0.295
MAR-TRE-8190bb11-34
0.295
MAR-TRE-e82e6c98-41
0.294
KEI-TRE-d5e2018a-20
0.294
MAR-TRE-e82e6c98-58
0.293
MAR-TRE-799db12b-39
0.293
MAR-TRE-8190bb11-58
0.293
MAR-TRE-9d18ae8c-14
0.293
MAR-TRE-a9136c7b-9
0.293
MAR-TRE-be9ff7d2-75
0.293
MAR-TRE-799db12b-19
0.293
MAR-TRE-e82e6c98-9
0.292
MAR-TRE-92684b97-77
0.292
MAR-TRE-a9136c7b-78
0.292
MAR-TRE-c317dd82-59
0.292
MAR-TRE-4f781e27-60
0.292
MAR-TRE-c317dd82-16
0.292
MAR-TRE-e82e6c98-30
0.291