Molecular Properties | |
SMILES: | O=C(NC(Cc1ccc(Cl)cn1)C(=O)O)c1cncnc1 |
MW: | 306.05 |
Fraction sp3: | 0.15 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 105.07 |
cLogP: | 0.95 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-be9ff7d2-61
0.559
MAR-TRE-be9ff7d2-84
0.522
MAR-TRE-66ac689e-48
0.514
MAR-TRE-66ac689e-81
0.500
MAR-TRE-4f781e27-24
0.478
MAR-TRE-e82e6c98-100
0.471
MAR-TRE-8190bb11-48
0.471
MAR-TRE-4f781e27-39
0.471
MAR-TRE-92684b97-41
0.464
MAR-TRE-4f781e27-56
0.459
MAR-TRE-92684b97-98
0.455
MAR-TRE-a9136c7b-36
0.451
MAR-TRE-66ac689e-87
0.447
MAR-TRE-be9ff7d2-21
0.447
MAR-TRE-92684b97-5
0.447
MAR-TRE-be9ff7d2-9
0.443
MAR-TRE-a9136c7b-66
0.443
MAR-TRE-4f781e27-93
0.442
MAR-TRE-8190bb11-17
0.442
MAR-TRE-92684b97-8
0.438
MAR-TRE-799db12b-61
0.437
MAR-TRE-799db12b-96
0.437
MAR-TRE-be9ff7d2-93
0.432
MAR-TRE-c317dd82-95
0.430
MAR-TRE-8190bb11-91
0.426
MAR-TRE-92684b97-97
0.425
MAR-TRE-66ac689e-19
0.425
MAR-TRE-be9ff7d2-10
0.425
MAR-TRE-8190bb11-23
0.425
MAR-TRE-4f781e27-70
0.420
MAR-TRE-4f781e27-94
0.420
MAR-TRE-92684b97-72
0.411
MAR-TRE-66ac689e-49
0.408
MAR-TRE-8190bb11-59
0.408
MAR-TRE-799db12b-95
0.406
MAR-TRE-c317dd82-41
0.403
MAR-TRE-a9136c7b-91
0.400
MAR-TRE-799db12b-23
0.397
MAR-TRE-a9136c7b-48
0.397
MAR-TRE-e82e6c98-79
0.395
MAR-TRE-799db12b-15
0.390
MAR-TRE-66ac689e-79
0.387
MAR-TRE-66ac689e-80
0.387
MAR-TRE-e82e6c98-70
0.386
MAR-TRE-66ac689e-56
0.385
MAR-TRE-4f781e27-84
0.384
MAR-TRE-92684b97-51
0.384
MAR-TRE-92684b97-80
0.384
MAR-TRE-9d18ae8c-59
0.380
MAR-TRE-e82e6c98-43
0.380
MAR-TRE-8190bb11-54
0.378
MAR-TRE-e82e6c98-71
0.378
MAR-TRE-92684b97-32
0.378
MAR-TRE-4f781e27-44
0.377
MAR-TRE-92684b97-27
0.375
MAR-TRE-be9ff7d2-48
0.375
MAR-TRE-8190bb11-71
0.375
MAR-TRE-92684b97-50
0.375
MAR-TRE-8190bb11-35
0.373
MAR-TRE-92684b97-88
0.373
MAR-TRE-be9ff7d2-16
0.373
MAR-TRE-66ac689e-82
0.372
MAR-TRE-c317dd82-24
0.372
MAR-TRE-be9ff7d2-47
0.371
MAR-TRE-799db12b-58
0.370
MAR-TRE-a9136c7b-33
0.368
MAR-TRE-66ac689e-64
0.367
MAR-TRE-66ac689e-92
0.367
MAR-TRE-8190bb11-6
0.367
MAR-TRE-8190bb11-11
0.365
MAR-TRE-9d18ae8c-64
0.365
MAR-TRE-799db12b-79
0.364
MAR-TRE-c317dd82-21
0.362
MAR-TRE-66ac689e-62
0.361
MAR-TRE-e82e6c98-30
0.361
MAR-TRE-66ac689e-58
0.361
MAR-TRE-66ac689e-41
0.360
MAR-TRE-8190bb11-97
0.360
MAR-TRE-be9ff7d2-86
0.359
MAR-TRE-a9136c7b-55
0.359
MAR-TRE-e82e6c98-34
0.359
MAR-TRE-66ac689e-84
0.359
MAR-TRE-9d18ae8c-8
0.359
MAR-TRE-e82e6c98-46
0.358
MAR-TRE-8190bb11-70
0.358
MAR-TRE-799db12b-91
0.356
MAR-TRE-92684b97-56
0.356
MAR-TRE-9d18ae8c-67
0.355
MAR-TRE-a9136c7b-58
0.354
MAR-TRE-92684b97-16
0.354
MAR-TRE-9d18ae8c-51
0.354
MAR-TRE-a9136c7b-22
0.352
MAR-TRE-92684b97-17
0.351
MAR-TRE-e82e6c98-72
0.351
MAR-TRE-8190bb11-28
0.351
MAR-TRE-92684b97-35
0.351
MAR-TRE-799db12b-55
0.351
MAR-TRE-c317dd82-94
0.351
MAR-TRE-9d18ae8c-97
0.351
MAR-TRE-66ac689e-42
0.351