Molecular Properties | |
SMILES: | O=C1CN(c2ccc(CNC(=O)c3cncnc3)cc2)CCN1 |
MW: | 311.14 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 87.22 |
cLogP: | 0.34 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
N,N-Dialkyl aniline derivatives (4)
N,N-Dialkyl aniline derivatives (5)
anil_di_alk_D(198)
MAR-TRE-8190bb11-27
0.608
MAR-TRE-a9136c7b-31
0.588
MAR-TRE-66ac689e-26
0.562
MAR-TRE-799db12b-9
0.494
MAR-TRE-799db12b-52
0.494
MAR-TRE-66ac689e-20
0.487
MAR-TRE-92684b97-78
0.486
MAR-TRE-66ac689e-21
0.481
MAR-TRE-8190bb11-85
0.472
MAR-TRE-8190bb11-24
0.472
MAR-TRE-9d18ae8c-89
0.467
MAR-TRE-8190bb11-13
0.459
MAR-TRE-799db12b-35
0.447
MAR-TRE-4f781e27-99
0.447
MAR-TRE-8190bb11-50
0.442
MAR-TRE-4f781e27-92
0.432
MAR-TRE-8190bb11-86
0.427
MAR-TRE-e82e6c98-25
0.411
MAR-TRE-9d18ae8c-65
0.409
MAR-TRE-799db12b-69
0.402
MAR-TRE-66ac689e-54
0.398
MAR-TRE-c317dd82-81
0.388
MAR-TRE-8190bb11-34
0.384
MAR-TRE-92684b97-11
0.383
MAR-TRE-a9136c7b-14
0.381
MAR-TRE-be9ff7d2-17
0.378
MAR-TRE-66ac689e-12
0.378
MAR-TRE-799db12b-89
0.376
MAR-TRE-a9136c7b-4
0.375
MAR-TRE-4f781e27-88
0.372
MAR-TRE-e82e6c98-54
0.367
MAR-TRE-9d18ae8c-34
0.367
MAR-TRE-799db12b-14
0.367
MAR-TRE-799db12b-84
0.366
MAR-TRE-8190bb11-99
0.366
MAR-TRE-92684b97-81
0.365
MAR-TRE-9d18ae8c-36
0.364
MAR-TRE-9d18ae8c-6
0.360
MAR-TRE-66ac689e-1
0.360
MAR-TRE-799db12b-76
0.359
MAR-TRE-9d18ae8c-16
0.359
MAR-TRE-a9136c7b-11
0.358
MAR-TRE-8190bb11-81
0.357
MAR-TRE-be9ff7d2-92
0.356
MAR-TRE-e82e6c98-5
0.356
MAR-TRE-66ac689e-29
0.356
MAR-TRE-4f781e27-65
0.356
MAR-TRE-799db12b-51
0.356
MAR-TRE-8190bb11-8
0.356
MAR-TRE-e82e6c98-35
0.353
MAR-TRE-66ac689e-73
0.353
MAR-TRE-66ac689e-37
0.353
MAR-TRE-9d18ae8c-46
0.352
MAR-TRE-799db12b-2
0.352
MAR-TRE-799db12b-33
0.352
MAR-TRE-92684b97-64
0.352
MAR-TRE-799db12b-64
0.352
MAR-TRE-799db12b-97
0.352
MAR-TRE-be9ff7d2-90
0.350
MAR-TRE-9d18ae8c-53
0.349
MAR-TRE-799db12b-44
0.349
MAR-TRE-66ac689e-33
0.348
MAR-TRE-4f781e27-2
0.348
MAR-TRE-66ac689e-47
0.348
MAR-TRE-4f781e27-48
0.348
MAR-TRE-8190bb11-42
0.346
MAR-TRE-799db12b-16
0.345
MAR-TRE-799db12b-27
0.345
MAR-TRE-92684b97-82
0.345
MAR-TRE-a9136c7b-17
0.344
MAR-TRE-be9ff7d2-67
0.342
KAD-UNI-cb0f2bbc-1
0.341
MAT-POS-24589f88-15
0.341
MAR-TRE-e82e6c98-12
0.341
MAR-TRE-e82e6c98-64
0.341
MAR-TRE-e82e6c98-68
0.338
MAR-TRE-be9ff7d2-1
0.337
MAR-TRE-9d18ae8c-83
0.337
MAR-TRE-799db12b-3
0.337
MAR-TRE-799db12b-24
0.337
MAR-TRE-799db12b-59
0.337
MAR-TRE-9d18ae8c-18
0.337
MAR-TRE-9d18ae8c-54
0.337
MAR-TRE-799db12b-65
0.337
MAR-TRE-92684b97-6
0.337
MAR-TRE-9d18ae8c-49
0.333
MAR-TRE-c317dd82-55
0.333
MAR-TRE-be9ff7d2-89
0.333
MAR-TRE-e82e6c98-91
0.333
MAR-TRE-8190bb11-40
0.333
MAR-TRE-8190bb11-80
0.333
MAR-TRE-9d18ae8c-30
0.333
MAR-TRE-9d18ae8c-52
0.333
MAR-TRE-9d18ae8c-7
0.330
MAR-TRE-e82e6c98-8
0.330
MAR-TRE-e82e6c98-93
0.330
MAR-TRE-8190bb11-73
0.330
MAR-TRE-8190bb11-88
0.330
MAR-TRE-92684b97-53
0.330
MAR-TRE-be9ff7d2-11
0.329