Molecular Properties | |
SMILES: | O=C(Nc1ccccc1Cc1ccc(O)cc1)c1cncnc1 |
MW: | 305.12 |
Fraction sp3: | 0.06 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 75.11 |
cLogP: | 3.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-9d18ae8c-35
0.657
MAR-TRE-9d18ae8c-69
0.603
MAR-TRE-799db12b-74
0.551
MAR-TRE-66ac689e-30
0.521
MAR-TRE-66ac689e-40
0.487
MAR-TRE-66ac689e-24
0.481
MAR-TRE-799db12b-20
0.434
MAR-TRE-8190bb11-51
0.427
MAR-TRE-9d18ae8c-83
0.425
MAR-TRE-4f781e27-34
0.425
MAR-TRE-799db12b-63
0.416
MAR-TRE-799db12b-60
0.390
MAR-TRE-92684b97-22
0.385
MAR-TRE-9d18ae8c-12
0.368
MAR-TRE-66ac689e-88
0.364
LON-WEI-ff7b210a-4
0.360
MAR-TRE-66ac689e-50
0.358
MAR-TRE-4f781e27-12
0.351
MAR-TRE-9d18ae8c-73
0.346
MAR-TRE-9d18ae8c-20
0.344
MAR-TRE-4f781e27-19
0.342
MAR-TRE-a9136c7b-34
0.337
MAR-TRE-92684b97-55
0.337
MAR-TRE-4f781e27-60
0.337
MAR-TRE-4f781e27-1
0.337
MAR-TRE-92684b97-25
0.333
MAR-TRE-9d18ae8c-58
0.329
MAR-TRE-66ac689e-75
0.329
MAR-TRE-4f781e27-49
0.329
MAR-TRE-66ac689e-89
0.326
MAR-TRE-9d18ae8c-29
0.325
MAR-TRE-66ac689e-47
0.322
MAR-TRE-92684b97-66
0.321
MAR-TRE-be9ff7d2-90
0.321
MAR-TRE-4f781e27-85
0.321
MAR-TRE-92684b97-78
0.320
MAR-TRE-4f781e27-67
0.318
MAR-TRE-799db12b-89
0.318
MAR-TRE-8190bb11-7
0.318
MAR-TRE-9d18ae8c-70
0.318
MAR-TRE-c317dd82-90
0.318
MAR-TRE-8190bb11-69
0.317
MAR-TRE-4f781e27-31
0.317
MAR-TRE-9d18ae8c-48
0.317
MAR-TRE-66ac689e-29
0.314
MAR-TRE-66ac689e-76
0.314
MAR-TRE-66ac689e-51
0.313
MAR-TRE-8190bb11-81
0.313
MAR-TRE-8190bb11-82
0.313
MAR-TRE-92684b97-54
0.313
MAR-TRE-be9ff7d2-6
0.313
MAR-TRE-4f781e27-84
0.312
MAR-TRE-799db12b-65
0.311
MAR-TRE-be9ff7d2-67
0.311
MAR-TRE-8190bb11-4
0.310
MAR-TRE-66ac689e-84
0.310
MAR-TRE-799db12b-39
0.310
MAR-TRE-e82e6c98-27
0.308
MAR-TRE-be9ff7d2-36
0.308
MAR-TRE-799db12b-86
0.307
MAR-TRE-4f781e27-47
0.307
MAR-TRE-4f781e27-57
0.307
MAR-TRE-a9136c7b-65
0.307
MAR-TRE-66ac689e-43
0.306
MAR-TRE-9d18ae8c-27
0.306
MAR-TRE-799db12b-40
0.303
MAR-TRE-8190bb11-100
0.303
MAR-TRE-799db12b-25
0.303
MAR-TRE-85681e92-70
0.303
MAR-TRE-799db12b-16
0.302
MAR-TRE-66ac689e-21
0.302
MAR-TRE-799db12b-17
0.301
MAR-TRE-e82e6c98-80
0.300
MAR-TRE-c317dd82-52
0.300
MAR-TRE-66ac689e-31
0.299
MAR-TRE-9d18ae8c-61
0.299
MAR-TRE-be9ff7d2-68
0.298
MAR-TRE-a9136c7b-28
0.298
MAR-TRE-9d18ae8c-74
0.298
MAR-TRE-be9ff7d2-15
0.298
MAR-TRE-a9136c7b-38
0.297
MAR-TRE-799db12b-64
0.297
MAR-TRE-8190bb11-11
0.296
MAR-TRE-92684b97-41
0.296
MAR-TRE-92684b97-51
0.296
MAR-TRE-9d18ae8c-15
0.296
MAR-TRE-9d18ae8c-87
0.296
MAR-TRE-4f781e27-99
0.296
MAR-TRE-4f781e27-25
0.296
MAR-TRE-4f781e27-98
0.296
MAR-TRE-66ac689e-25
0.295
MAR-TRE-9d18ae8c-18
0.295
MAR-TRE-9d18ae8c-50
0.295
MAR-TRE-8190bb11-85
0.295
MAR-TRE-8190bb11-91
0.295
MAR-TRE-85681e92-51
0.295
MAR-TRE-8190bb11-24
0.295
MAR-TRE-9d18ae8c-2
0.294
MAR-TRE-a9136c7b-9
0.293
MAR-TRE-a9136c7b-10
0.293