Molecular Properties | |
SMILES: | COC(=O)C(Cc1c[nH]c2ccc(OC)cc12)NC(=O)c1cncnc1 |
MW: | 354.13 |
Fraction sp3: | 0.22 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 106.2 |
cLogP: | 1.48 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ester
MAR-TRE-4f781e27-26
0.727
MAR-TRE-4f781e27-69
0.646
MAR-TRE-85681e92-20
0.625
MAR-TRE-799db12b-12
0.602
MAR-TRE-be9ff7d2-10
0.566
MAR-TRE-be9ff7d2-73
0.566
MAR-TRE-4f781e27-5
0.534
MAR-TRE-8190bb11-70
0.518
MAR-TRE-a9136c7b-22
0.517
MAR-TRE-be9ff7d2-7
0.483
MAR-TRE-4f781e27-27
0.483
MAR-TRE-4f781e27-6
0.472
MAR-TRE-85681e92-12
0.455
JOH-MSK-35a8745a-1
0.439
MAR-UCB-195bc32d-21
0.439
ALE-ACE-2610ee4d-1
0.439
MAR-TRE-85681e92-45
0.427
MAR-TRE-4f781e27-56
0.425
MAR-TRE-85681e92-38
0.422
MAR-TRE-66ac689e-87
0.416
JOH-MSK-a63bdd1d-7
0.416
MAR-TRE-4f39ef4a-34
0.411
MAR-TRE-4f781e27-94
0.409
MAR-TRE-85681e92-60
0.407
DAR-DIA-eace69ff-35
0.403
MAR-TRE-92684b97-97
0.398
MAR-TRE-be9ff7d2-9
0.398
MAR-TRE-92684b97-92
0.391
MAR-TRE-a9136c7b-98
0.391
MAR-TRE-e82e6c98-71
0.388
MAR-UNI-9ca61fdc-1
0.388
MAR-TRE-66ac689e-48
0.386
MAR-UCB-195bc32d-23
0.383
MAR-TRE-be9ff7d2-64
0.382
MAR-TRE-a9136c7b-49
0.382
MAR-TRE-66ac689e-57
0.381
MAR-TRE-c317dd82-56
0.379
MAR-TRE-9d18ae8c-86
0.372
MAR-TRE-92684b97-77
0.372
MAR-TRE-66ac689e-18
0.372
MAR-TRE-e82e6c98-34
0.371
MAR-TRE-8190bb11-67
0.370
MAR-TRE-92684b97-67
0.370
MAR-TRE-be9ff7d2-21
0.370
MAR-TRE-799db12b-47
0.368
MAR-TRE-66ac689e-97
0.367
MAR-TRE-a9136c7b-70
0.367
MAR-TRE-799db12b-78
0.366
MAR-TRE-4f781e27-20
0.366
MAR-TRE-799db12b-46
0.364
MAR-TRE-799db12b-94
0.364
MAR-TRE-66ac689e-93
0.364
MAR-TRE-66ac689e-81
0.360
MAR-TRE-4f781e27-45
0.360
MAR-TRE-66ac689e-52
0.358
MAR-TRE-799db12b-50
0.356
MAR-TRE-be9ff7d2-61
0.356
MAR-TRE-92684b97-5
0.355
MAR-TRE-9d18ae8c-24
0.354
MAR-TRE-4f781e27-9
0.354
MAR-TRE-9d18ae8c-19
0.354
MAR-TRE-c317dd82-48
0.354
MAR-TRE-e82e6c98-100
0.352
MAR-TRE-92684b97-14
0.352
MAR-TRE-799db12b-80
0.352
MAR-TRE-d3c2bf0e-32
0.352
MAR-TRE-a9136c7b-69
0.351
MAR-TRE-e82e6c98-14
0.348
MAR-TRE-799db12b-31
0.348
MAR-TRE-8190bb11-49
0.344
MAR-TRE-799db12b-79
0.344
MAR-TRE-799db12b-32
0.344
MAR-TRE-92684b97-73
0.344
MAR-TRE-9d18ae8c-90
0.344
MAR-TRE-a9136c7b-59
0.344
MAR-TRE-8190bb11-38
0.344
MAR-TRE-4f781e27-24
0.341
MAR-TRE-be9ff7d2-3
0.341
MAR-TRE-66ac689e-71
0.341
MAR-TRE-8190bb11-23
0.340
MAR-TRE-4f781e27-86
0.337
MAR-TRE-4f781e27-40
0.337
MAR-TRE-8190bb11-17
0.337
MAR-TRE-92684b97-12
0.337
MAR-TRE-92684b97-8
0.337
MAR-TRE-85681e92-64
0.333
MAR-TRE-4f781e27-14
0.333
MAR-TRE-8190bb11-76
0.333
MAR-TRE-92684b97-1
0.330
MAR-TRE-92684b97-4
0.330
MAR-TRE-4f781e27-71
0.330
MAR-TRE-9d18ae8c-60
0.330
MAR-TRE-a9136c7b-91
0.330
MAR-TRE-66ac689e-98
0.330
MAR-TRE-8190bb11-77
0.330
MAR-TRE-9d18ae8c-85
0.330
MAR-TRE-9d18ae8c-17
0.326
MAR-TRE-e82e6c98-46
0.326
MAR-TRE-799db12b-28
0.326
MAR-TRE-9d18ae8c-99
0.326