Molecular Properties | |
SMILES: | Nc1ccccc1Cc1ccccc1NC(=O)c1cncnc1 |
MW: | 304.13 |
Fraction sp3: | 0.06 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 80.9 |
cLogP: | 2.9 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aniline
aniline
analine
MAR-TRE-9d18ae8c-14
0.603
MAR-TRE-9d18ae8c-35
0.594
MAR-TRE-799db12b-74
0.559
MAR-TRE-66ac689e-30
0.551
MAR-TRE-66ac689e-40
0.514
MAR-TRE-66ac689e-24
0.507
MAR-TRE-8190bb11-51
0.413
MAR-TRE-799db12b-60
0.412
MAR-TRE-799db12b-20
0.403
MAR-TRE-799db12b-63
0.403
MAR-TRE-4f781e27-34
0.378
MAR-TRE-9d18ae8c-83
0.378
MAR-TRE-9d18ae8c-12
0.356
ANN-UNI-98d2bf15-1
0.351
JOH-UNI-abfda500-6
0.351
MAR-TRE-4f781e27-19
0.346
MAR-TRE-66ac689e-50
0.346
MAR-TRE-92684b97-22
0.344
MAR-TRE-a9136c7b-34
0.341
MAR-TRE-c317dd82-90
0.337
MAR-TRE-92684b97-25
0.337
MAR-TRE-4f781e27-49
0.333
MAR-TRE-be9ff7d2-68
0.333
MAR-TRE-8190bb11-81
0.333
MAR-TRE-8190bb11-82
0.333
MAR-TRE-9d18ae8c-73
0.333
MAR-TRE-799db12b-39
0.329
MAR-TRE-799db12b-93
0.326
MAR-TRE-4f781e27-57
0.326
MAR-TRE-4f781e27-67
0.322
MAR-TRE-799db12b-89
0.321
MAR-TRE-4f781e27-12
0.321
MAR-TRE-66ac689e-29
0.318
MAR-TRE-be9ff7d2-6
0.317
MAR-TRE-92684b97-54
0.317
MAR-TRE-66ac689e-88
0.316
MAR-TRE-be9ff7d2-36
0.312
MAR-TRE-e82e6c98-27
0.312
MAR-TRE-a9136c7b-10
0.311
MAR-TRE-be9ff7d2-56
0.311
MAR-TRE-a9136c7b-12
0.310
MAR-TRE-799db12b-86
0.310
MAR-TRE-92684b97-55
0.310
MAR-TRE-4f781e27-40
0.309
MAR-TRE-c317dd82-48
0.307
MAR-TRE-8190bb11-7
0.306
MAR-TRE-9d18ae8c-70
0.306
MAR-TRE-4f781e27-31
0.305
MAR-TRE-9d18ae8c-48
0.305
MAR-TRE-e82e6c98-80
0.304
MAR-TRE-4f781e27-27
0.303
MAR-TRE-9d18ae8c-61
0.303
MAR-TRE-66ac689e-76
0.302
MAR-TRE-be9ff7d2-15
0.301
MAR-TRE-a9136c7b-28
0.301
MAR-TRE-8190bb11-65
0.300
MAR-TRE-8190bb11-11
0.300
MAR-TRE-4f781e27-69
0.300
MAR-TRE-4f781e27-98
0.299
MAR-TRE-8190bb11-4
0.299
MAR-TRE-9d18ae8c-18
0.299
MAR-TRE-e82e6c98-70
0.299
MAR-TRE-66ac689e-84
0.298
MAR-TRE-4f781e27-1
0.297
MAR-TRE-a9136c7b-65
0.295
MAR-TRE-799db12b-34
0.295
MAR-TRE-66ac689e-47
0.295
MAR-TRE-66ac689e-58
0.295
MAR-TRE-66ac689e-8
0.294
MAR-TRE-8190bb11-40
0.294
MAR-TRE-92684b97-76
0.293
MAR-TRE-4f781e27-86
0.293
MAR-TRE-799db12b-25
0.292
MAR-TRE-8190bb11-100
0.292
MAR-TRE-92684b97-27
0.291
MAR-TRE-4f781e27-85
0.291
MAR-TRE-92684b97-66
0.291
MAR-TRE-799db12b-16
0.291
LON-WEI-ff7b210a-4
0.290
MAR-TRE-92684b97-78
0.289
MAR-TRE-9d18ae8c-39
0.289
MAR-TRE-8190bb11-69
0.289
MAR-TRE-c317dd82-52
0.289
MAR-TRE-799db12b-37
0.289
MAR-TRE-8190bb11-48
0.287
MAR-TRE-4f781e27-39
0.287
MAR-TRE-e82e6c98-74
0.287
MAR-TRE-be9ff7d2-20
0.287
MAR-TRE-9d18ae8c-60
0.287
MAR-TRE-66ac689e-31
0.287
MAR-TRE-66ac689e-51
0.286
MAR-TRE-9d18ae8c-58
0.286
MAR-TRE-799db12b-64
0.286
MAR-TRE-799db12b-65
0.286
MAR-TRE-66ac689e-68
0.286
MAR-TRE-9d18ae8c-74
0.286
MAR-TRE-8190bb11-70
0.284
MAR-TRE-799db12b-2
0.284
MAR-TRE-799db12b-59
0.284
MAR-TRE-66ac689e-25
0.284