Molecular Properties | |
SMILES: | O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1cncnc1 |
MW: | 333.12 |
Fraction sp3: | 0.06 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 96.87 |
cLogP: | 2.05 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-9d18ae8c-83
0.662
MAR-TRE-799db12b-60
0.616
MAR-TRE-799db12b-20
0.614
MAR-TRE-8190bb11-51
0.609
MAR-TRE-92684b97-22
0.566
MAR-TRE-9d18ae8c-35
0.533
MAR-TRE-799db12b-63
0.527
MAR-TRE-9d18ae8c-14
0.425
MAR-TRE-799db12b-74
0.423
MAR-TRE-92684b97-81
0.420
MAR-TRE-4f781e27-2
0.417
MAR-TRE-66ac689e-30
0.400
MAR-TRE-4f781e27-29
0.392
MAR-TRE-9d18ae8c-69
0.378
MAR-TRE-66ac689e-40
0.376
MAR-TRE-66ac689e-24
0.372
MAR-TRE-c317dd82-59
0.368
NAU-LAT-64f4b287-9
0.365
MAR-TRE-66ac689e-50
0.357
MAR-TRE-799db12b-2
0.356
MAR-TRE-9d18ae8c-18
0.356
MAR-TRE-9d18ae8c-46
0.356
ANT-DIA-3c79be55-2
0.354
MAR-TRE-799db12b-44
0.353
MAR-TRE-fd17a9b8-62
0.348
SAD-SAT-24589cd1-4
0.347
MAR-TRE-9d18ae8c-74
0.345
MAK-UNK-129dcd6f-4
0.344
MAR-TRE-4f781e27-19
0.341
MAR-TRE-66ac689e-37
0.341
MAR-TRE-4f781e27-100
0.341
MAR-TRE-66ac689e-73
0.341
MAR-TRE-799db12b-3
0.341
MAR-TRE-92684b97-6
0.341
MAR-TRE-92684b97-78
0.338
MAR-TRE-9d18ae8c-53
0.337
MAR-TRE-9d18ae8c-30
0.337
MAR-TRE-9d18ae8c-52
0.337
MAR-TRE-9d18ae8c-12
0.337
MAR-TRE-9d18ae8c-10
0.337
MAR-TRE-9d18ae8c-7
0.333
MAR-TRE-799db12b-16
0.333
MAR-TRE-66ac689e-1
0.333
GAB-REV-70cc3ca5-13
0.333
MAR-TRE-9d18ae8c-6
0.333
ANT-DIA-045cfdc4-5
0.333
MAR-TRE-799db12b-27
0.333
MAR-TRE-9d18ae8c-16
0.333
MAR-TRE-2fd8122f-21
0.330
MAR-TRE-8190bb11-8
0.330
MAR-TRE-9d18ae8c-11
0.330
MAR-TRE-8190bb11-81
0.329
MAR-TRE-9d18ae8c-89
0.329
MAR-TRE-8190bb11-24
0.329
MAR-TRE-8190bb11-85
0.329
MAR-TRE-be9ff7d2-67
0.329
MAR-TRE-fd17a9b8-69
0.326
BAR-COM-4e090d3a-69
0.326
MAR-TRE-799db12b-14
0.326
MAR-TRE-799db12b-97
0.326
MAR-TRE-9d18ae8c-34
0.326
MAR-TRE-799db12b-24
0.326
MAR-TRE-799db12b-33
0.326
MAR-TRE-8190bb11-34
0.326
MAR-TRE-9d18ae8c-54
0.326
MAR-TRE-8190bb11-50
0.325
MAR-TRE-66ac689e-33
0.322
MAR-TRE-a9136c7b-80
0.322
MAR-TRE-66ac689e-47
0.322
MAR-TRE-8190bb11-80
0.322
MAR-TRE-4f781e27-48
0.322
MAR-TRE-4f781e27-57
0.322
MAR-TRE-9d18ae8c-36
0.322
MAR-TRE-a9136c7b-34
0.322
MAR-TRE-92684b97-55
0.322
MAR-TRE-8190bb11-13
0.321
MAR-TRE-e82e6c98-54
0.321
MAR-TRE-799db12b-76
0.319
MAR-TRE-92684b97-82
0.318
CHA-MCP-85291e1d-7
0.318
MAR-TRE-8190bb11-69
0.318
MAR-TRE-be9ff7d2-17
0.318
MAR-TRE-8190bb11-62
0.317
MAR-TRE-4f781e27-12
0.317
MAR-TRE-799db12b-51
0.315
MAR-TRE-8190bb11-31
0.315
MAR-TRE-9d18ae8c-43
0.315
SER-UNI-985a0e14-2
0.315
MAR-TRE-66ac689e-31
0.315
MAR-TRE-92684b97-96
0.315
MAR-TRE-9d18ae8c-81
0.315
MAR-TRE-66ac689e-26
0.314
MAR-TRE-8190bb11-82
0.314
MAR-TRE-799db12b-35
0.313
MAR-TRE-66ac689e-88
0.313
MAR-TRE-8190bb11-96
0.313
MAR-TRE-4f781e27-99
0.313
MAR-TRE-4f781e27-49
0.312
MAR-TRE-799db12b-64
0.312
MAR-TRE-799db12b-39
0.310