Molecular Properties | |
SMILES: | O=C(Nc1ccccc1Cc1cccnc1)c1cncnc1 |
MW: | 290.12 |
Fraction sp3: | 0.06 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 67.77 |
cLogP: | 2.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-9d18ae8c-14
0.657
MAR-TRE-9d18ae8c-69
0.594
MAR-TRE-799db12b-74
0.543
MAR-TRE-4f781e27-34
0.533
MAR-TRE-66ac689e-30
0.514
MAR-TRE-66ac689e-40
0.500
MAR-TRE-66ac689e-24
0.494
MAR-TRE-4f781e27-29
0.427
MAR-TRE-8190bb11-51
0.403
MAR-TRE-799db12b-63
0.392
MAR-TRE-799db12b-20
0.392
MAR-TRE-9d18ae8c-83
0.386
MAR-TRE-799db12b-60
0.369
ANT-DIA-3c79be55-2
0.368
MAR-TRE-4f781e27-2
0.365
JIA-UNI-12b1f9ae-2
0.352
MAR-TRE-92684b97-22
0.351
MAR-TRE-92684b97-81
0.349
MAR-TRE-c317dd82-59
0.349
MAR-TRE-9d18ae8c-12
0.348
GAB-REV-70cc3ca5-13
0.346
JIA-UNI-12b1f9ae-1
0.346
NAU-LAT-64f4b287-9
0.342
SAD-SAT-24589cd1-4
0.342
MAR-TRE-9d18ae8c-73
0.342
MAR-TRE-be9ff7d2-6
0.341
LON-WEI-ff7b210a-4
0.341
MAR-TRE-4f781e27-19
0.338
MAR-TRE-66ac689e-50
0.337
MAR-TRE-a9136c7b-34
0.333
MAR-TRE-4f781e27-20
0.333
MAR-TRE-92684b97-55
0.333
MAR-TRE-4f781e27-68
0.329
MAR-TRE-4f781e27-12
0.329
MAR-TRE-66ac689e-31
0.326
MAR-TRE-8190bb11-81
0.325
MAR-TRE-66ac689e-88
0.325
MAR-TRE-4f781e27-49
0.325
MAR-TRE-85681e92-95
0.324
MAR-TRE-8190bb11-4
0.322
BAR-COM-5694a99d-4
0.322
MAR-TRE-799db12b-39
0.321
MAR-TRE-9d18ae8c-37
0.321
BEN-DND-61647d40-17
0.321
MAR-TRE-e82e6c98-27
0.321
MAR-TRE-4f781e27-1
0.319
MAR-TRE-4f781e27-47
0.318
WIL-UNI-5578df48-11
0.317
MAR-TRE-92684b97-66
0.316
BAR-COM-5694a99d-5
0.315
MAR-TRE-4f781e27-67
0.315
MAR-TRE-92684b97-25
0.315
MAR-TRE-c317dd82-90
0.314
MAR-TRE-a9136c7b-77
0.314
MAR-TRE-799db12b-89
0.314
MAR-TRE-799db12b-16
0.314
MAR-TRE-8190bb11-69
0.313
MAR-TRE-9d18ae8c-48
0.313
BAR-COM-4e090d3a-3
0.311
SAD-SAT-689b7d5a-5
0.310
MAR-TRE-66ac689e-76
0.310
MAR-TRE-9d18ae8c-58
0.310
MAR-TRE-66ac689e-51
0.310
MAR-TRE-8190bb11-82
0.310
MAR-TRE-92684b97-54
0.310
BEN-DND-61647d40-7
0.310
BEN-DND-61647d40-18
0.309
MAR-TRE-92684b97-51
0.309
MAR-TRE-92684b97-6
0.308
MAR-TRE-a9136c7b-82
0.307
MAR-TRE-9d18ae8c-50
0.307
MAR-TRE-799db12b-2
0.307
RAL-MED-2de63afb-1
0.307
MAR-TRE-9d18ae8c-18
0.307
MAR-TRE-8190bb11-58
0.306
MAR-TRE-9d18ae8c-57
0.306
BEN-DND-61647d40-8
0.305
DAR-DIA-23aa0b97-4
0.305
MAR-TRE-a9136c7b-10
0.304
MAR-TRE-be9ff7d2-36
0.304
MAR-TRE-66ac689e-47
0.303
BAR-COM-5694a99d-3
0.303
MAR-TRE-4f781e27-48
0.303
MAR-TRE-4f781e27-60
0.303
MAR-TRE-9d18ae8c-52
0.303
MAR-TRE-4f781e27-57
0.303
MAR-TRE-66ac689e-43
0.302
MAR-TRE-4f781e27-37
0.302
MAR-TRE-9d18ae8c-42
0.301
MAR-TRE-9d18ae8c-67
0.301
BAR-COM-5694a99d-1
0.300
MAR-TRE-799db12b-40
0.300
MAR-TRE-4f781e27-85
0.300
WIL-UNI-5578df48-26
0.299
MAR-TRE-8190bb11-7
0.299
MAR-TRE-a9136c7b-93
0.299
MAR-TRE-4f781e27-35
0.299
MAR-TRE-4f781e27-56
0.299
MAR-TRE-9d18ae8c-70
0.299
MAR-TRE-92684b97-78
0.299