Molecular Properties | |
SMILES: | CC(CO)(Cn1cnc2ccccc21)NC(=O)c1cncnc1 |
MW: | 311.14 |
Fraction sp3: | 0.25 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 92.93 |
cLogP: | 1.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-92684b97-49
0.456
MAR-TRE-66ac689e-70
0.354
MAR-TRE-4f781e27-32
0.354
MAR-TRE-8190bb11-62
0.354
MAR-TRE-66ac689e-75
0.350
MAR-TRE-8190bb11-58
0.345
MAR-TRE-8190bb11-36
0.341
JIN-POS-6dc588a4-1
0.341
BEN-DND-61647d40-13
0.341
BEN-DND-02317c5c-11
0.341
MAR-TRE-8190bb11-74
0.333
MAR-TRE-4f781e27-78
0.333
BEN-DND-61647d40-3
0.330
MAR-TRE-e82e6c98-9
0.329
MAR-TRE-4f781e27-74
0.326
MAT-POS-162a9720-10
0.325
MAR-TRE-799db12b-66
0.322
MAR-TRE-66ac689e-14
0.321
MAR-TRE-66ac689e-23
0.321
MAR-TRE-66ac689e-86
0.321
MAR-TRE-9d18ae8c-61
0.321
MAR-TRE-a9136c7b-23
0.320
MAR-TRE-799db12b-41
0.318
MAR-TRE-92684b97-26
0.318
TAT-ENA-80bfd3e5-19
0.316
MAR-TRE-799db12b-75
0.315
MAR-TRE-be9ff7d2-65
0.313
MAR-TRE-e82e6c98-15
0.313
MAR-TRE-8190bb11-63
0.308
MAR-TRE-66ac689e-39
0.307
MAR-TRE-c317dd82-76
0.307
MAR-TRE-e82e6c98-11
0.307
MAR-TRE-8190bb11-22
0.307
MAR-TRE-92684b97-24
0.307
MAR-TRE-92684b97-83
0.307
MAR-TRE-a9136c7b-81
0.307
MAR-TRE-8190bb11-82
0.303
MAR-TRE-9d18ae8c-73
0.302
MAR-TRE-8190bb11-85
0.301
ALP-POS-bad7201a-4
0.300
MAR-TRE-8190bb11-92
0.300
MAR-TRE-c317dd82-16
0.298
MAR-TRE-4f781e27-83
0.298
MAR-TRE-799db12b-90
0.298
ALP-POS-8ed8d9ec-7
0.297
PET-UNK-7374c256-1
0.297
MAR-TRE-92684b97-65
0.297
MAR-TRE-be9ff7d2-28
0.297
MAR-TRE-799db12b-44
0.297
MAR-TRE-92684b97-90
0.297
MAR-TRE-c317dd82-55
0.295
MAR-TRE-92684b97-98
0.295
MAR-TRE-92684b97-27
0.294
MAR-TRE-4f781e27-28
0.292
MAR-TRE-a9136c7b-84
0.292
MAR-TRE-c317dd82-95
0.292
MAR-TRE-92684b97-85
0.289
MAR-TRE-9d18ae8c-74
0.289
MAR-TRE-8190bb11-35
0.289
MAR-TRE-e82e6c98-39
0.287
MAR-TRE-a9136c7b-100
0.287
MAR-TRE-799db12b-68
0.287
MAR-TRE-8190bb11-24
0.286
DAR-DIA-ecdbc7dd-6
0.285
MAR-TRE-8190bb11-21
0.284
MAR-TRE-be9ff7d2-83
0.284
MAR-TRE-c317dd82-82
0.284
MAR-TRE-8190bb11-72
0.284
MAR-TRE-4f781e27-91
0.284
MAR-TRE-66ac689e-43
0.283
MAR-TRE-799db12b-70
0.283
MAR-TRE-be9ff7d2-13
0.281
MAR-TRE-8190bb11-51
0.281
MAR-TRE-4f781e27-40
0.281
MAR-TRE-9d18ae8c-6
0.280
MAR-TRE-4f781e27-35
0.280
MAR-TRE-92684b97-87
0.279
MAR-TRE-be9ff7d2-17
0.278
MAR-TRE-66ac689e-30
0.278
MAR-TRE-9d18ae8c-40
0.278
MAR-TRE-4f781e27-14
0.278
MAR-TRE-66ac689e-29
0.277
MAR-TRE-92684b97-96
0.277
MAR-TRE-9d18ae8c-81
0.277
MAR-TRE-8190bb11-48
0.276
MAR-TRE-4f781e27-73
0.276
MAR-TRE-9d18ae8c-26
0.276
MAR-TRE-8190bb11-81
0.275
MAR-TRE-92684b97-54
0.275
MAR-TRE-e82e6c98-38
0.274
MAR-TRE-4f781e27-79
0.274
MAR-TRE-e82e6c98-10
0.274
MAR-TRE-9d18ae8c-18
0.274
MAR-TRE-8190bb11-11
0.273
MAR-TRE-8190bb11-96
0.273
MAR-TRE-9d18ae8c-21
0.273
MAR-TRE-9d18ae8c-85
0.273
MAR-TRE-92684b97-40
0.273
MAR-TRE-92684b97-59
0.273
MAR-TRE-799db12b-39
0.272