Molecular Properties | |
SMILES: | Cc1cc(N2CCNC(=O)C2)ccc1CNC(=O)c1cncnc1 |
MW: | 325.15 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 87.22 |
cLogP: | 0.65 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
N,N-Dialkyl aniline derivatives (4)
N,N-Dialkyl aniline derivatives (6)
anil_di_alk_D(198)
MAR-TRE-799db12b-72
0.608
MAR-TRE-a9136c7b-31
0.523
MAR-TRE-799db12b-9
0.442
MAR-TRE-c317dd82-55
0.400
MAR-TRE-8190bb11-42
0.398
MAR-TRE-799db12b-89
0.393
MAR-TRE-e82e6c98-12
0.391
MAR-TRE-66ac689e-26
0.391
MAR-TRE-66ac689e-29
0.389
MAR-TRE-e82e6c98-35
0.386
MAR-TRE-92684b97-64
0.385
MAR-TRE-66ac689e-47
0.380
MAR-TRE-e82e6c98-5
0.374
MAR-TRE-a9136c7b-100
0.370
MAR-TRE-799db12b-59
0.370
MAR-TRE-be9ff7d2-90
0.369
MAR-TRE-799db12b-64
0.368
MAR-TRE-e82e6c98-25
0.367
MAR-TRE-e82e6c98-60
0.367
MAR-TRE-e82e6c98-91
0.367
MAR-TRE-66ac689e-21
0.363
MAR-TRE-92684b97-54
0.360
MAR-TRE-8190bb11-81
0.360
MAR-TRE-8190bb11-82
0.360
MAR-TRE-be9ff7d2-92
0.359
MAR-TRE-799db12b-7
0.359
MAR-TRE-799db12b-52
0.359
MAR-TRE-799db12b-69
0.358
MAR-TRE-be9ff7d2-18
0.356
MAR-TRE-66ac689e-74
0.355
MAR-TRE-66ac689e-54
0.354
MAR-TRE-799db12b-65
0.354
MAR-TRE-92684b97-11
0.352
MAR-TRE-4f781e27-92
0.352
MAR-TRE-e82e6c98-57
0.349
MAR-TRE-8190bb11-73
0.348
MAR-TRE-92684b97-53
0.348
MAR-TRE-8190bb11-85
0.345
MAR-TRE-e82e6c98-64
0.344
MAR-TRE-e82e6c98-68
0.341
MAR-TRE-92684b97-78
0.337
MAR-TRE-8190bb11-13
0.337
MAR-TRE-66ac689e-20
0.337
MAR-TRE-be9ff7d2-89
0.337
MAR-TRE-4f781e27-83
0.337
MAR-TRE-a9136c7b-80
0.337
MAR-TRE-92684b97-46
0.337
MAR-TRE-9d18ae8c-65
0.337
MAR-TRE-be9ff7d2-17
0.333
MAR-TRE-8190bb11-86
0.333
MAR-TRE-92684b97-74
0.333
MAR-TRE-92684b97-82
0.333
MAR-TRE-9d18ae8c-48
0.333
MAR-TRE-a9136c7b-76
0.330
MAR-TRE-799db12b-11
0.330
MAR-TRE-be9ff7d2-95
0.330
MAR-TRE-8190bb11-8
0.330
MAR-TRE-c317dd82-81
0.330
MAR-TRE-9d18ae8c-89
0.330
MAR-TRE-8190bb11-24
0.329
MAR-TRE-be9ff7d2-67
0.329
MAR-TRE-be9ff7d2-82
0.326
MAR-TRE-8190bb11-34
0.326
MAR-TRE-4f781e27-75
0.326
MAR-TRE-be9ff7d2-1
0.326
MAR-TRE-66ac689e-69
0.323
MAR-TRE-c317dd82-74
0.323
MAR-TRE-e82e6c98-6
0.323
MAR-TRE-799db12b-44
0.323
MAR-TRE-a9136c7b-17
0.320
MAR-TRE-66ac689e-1
0.320
MAR-TRE-e82e6c98-93
0.319
MAR-TRE-9d18ae8c-6
0.319
MAR-TRE-799db12b-16
0.319
MAR-TRE-e82e6c98-16
0.319
MAR-TRE-a9136c7b-54
0.319
MAR-TRE-66ac689e-12
0.319
MAR-TRE-e82e6c98-26
0.318
MAR-TRE-be9ff7d2-11
0.318
MAR-TRE-c317dd82-67
0.317
MAR-TRE-9d18ae8c-43
0.316
MAR-TRE-8190bb11-31
0.316
MAR-TRE-66ac689e-40
0.316
MAR-TRE-799db12b-35
0.315
MAR-TRE-4f781e27-99
0.315
MAR-TRE-4f781e27-49
0.314
MAR-TRE-799db12b-14
0.313
MAR-TRE-799db12b-2
0.312
MAR-TRE-799db12b-33
0.312
MAR-TRE-c317dd82-14
0.312
MAR-TRE-66ac689e-73
0.312
MAR-TRE-8190bb11-92
0.312
MAR-TRE-66ac689e-37
0.312
MAR-TRE-a9136c7b-4
0.311
MAR-TRE-e82e6c98-97
0.309
MAR-TRE-66ac689e-33
0.309
MAR-TRE-9d18ae8c-30
0.309
MAR-TRE-8190bb11-80
0.309
MAR-TRE-4f781e27-48
0.309
MAR-TRE-92684b97-81
0.309